5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane

C45H84N4 — CID 143354088

IUPAC5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane
SMILESC=C(C)CC.C=C(N)C(=C)C(C)CC1CCC1.C=C(NC(C(=C)N1CC(C)C(C)C1C(=C)C)C(C)(C)C)NC1(CC)CCCCC1.CCC
InChIInChI=1S/C26H47N3.C11H19N.C5H10.C3H8/c1-11-26(15-13-12-14-16-26)28-22(7)27-24(25(8,9)10)21(6)29-17-19(4)20(5)23(29)18(2)3;1-8(9(2)10(3)12)7-11-5-4-6-11;1-4-5(2)3;1-3-2/h19-20,23-24,27-28H,2,6-7,11-17H2,1,3-5,8-10H3;8,11H,2-7,12H2,1H3;2,4H2,1,3H3;3H2,1-2H3
InChIKeyYBKKMDKSEBZQDY-UHFFFAOYSA-N
MW681.19 g/mol
LogP12.44
Rot. Bonds13

About 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane (PubChem CID 143354088) has the molecular formula C45H84N4 and a molecular weight of 681.19 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane.

Molecular Properties

Compound Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane
PubChem CID143354088
Molecular FormulaC45H84N4
Molecular Weight681.19 g/mol
Exact Mass680.67
IUPAC Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane
SMILESC=C(C)CC.C=C(N)C(=C)C(C)CC1CCC1.C=C(NC(C(=C)N1CC(C)C(C)C1C(=C)C)C(C)(C)C)NC1(CC)CCCCC1.CCC
InChIInChI=1S/C26H47N3.C11H19N.C5H10.C3H8/c1-11-26(15-13-12-14-16-26)28-22(7)27-24(25(8,9)10)21(6)29-17-19(4)20(5)23(29)18(2)3;1-8(9(2)10(3)12)7-11-5-4-6-11;1-4-5(2)3;1-3-2/h19-20,23-24,27-28H,2,6-7,11-17H2,1,3-5,8-10H3;8,11H,2-7,12H2,1H3;2,4H2,1,3H3;3H2,1-2H3
InChIKeyYBKKMDKSEBZQDY-UHFFFAOYSA-N
XLogP12.44
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.19
LogP ≤ 512.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane?
The IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane (CID 143354088) is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane.
What is the SMILES notation for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane?
The canonical SMILES for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane is C=C(C)CC.C=C(N)C(=C)C(C)CC1CCC1.C=C(NC(C(=C)N1CC(C)C(C)C1C(=C)C)C(C)(C)C)NC1(CC)CCCCC1.CCC.
What is the InChIKey of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane?
The InChIKey is YBKKMDKSEBZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3.C11H19N.C5H10.C3H8/c1-11-26(15-13-12-14-16-26)28-22(7)27-24(25(8,9)10)21(6)29-17-19(4)20(5)23(29)18(2)3;1-8(9(2)10(3)12)7-11-5-4-6-11;1-4-5(2)3;1-3-2/h19-20,23-24,27-28H,2,6-7,11-17H2,1,3-5,8-10H3;8,11H,2-7,12H2,1H3;2,4H2,1,3H3;3H2,1-2H3.
What are the key properties of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane?
5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane has a molecular weight of 681.19 g/mol, XLogP of 12.44, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-[2-(3,4-dimethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N'-(1-ethylcyclohexyl)ethene-1,1-diamine;2-methylbut-1-ene;propane is sourced from PubChem (CID 143354088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).