5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine

C42H75N3 — CID 143351895

IUPAC5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=C(N)C(=C)C(C)CC1CCC1.C=C(NC(CCC)C(C)(C)C)NC(C(=C)C1CC(C)C(C(C)C)C1C(=C)C)C1(C)CCCC1
InChIInChI=1S/C31H56N2.C11H19N/c1-13-16-26(30(9,10)11)32-24(8)33-29(31(12)17-14-15-18-31)23(7)25-19-22(6)27(20(2)3)28(25)21(4)5;1-8(9(2)10(3)12)7-11-5-4-6-11/h20,22,25-29,32-33H,4,7-8,13-19H2,1-3,5-6,9-12H3;8,11H,2-7,12H2,1H3
InChIKeyASMYSTPSOLQHLR-UHFFFAOYSA-N
MW622.08 g/mol
LogP11.32
Rot. Bonds15

About 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine (PubChem CID 143351895) has the molecular formula C42H75N3 and a molecular weight of 622.08 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine.

Molecular Properties

Compound Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine
PubChem CID143351895
Molecular FormulaC42H75N3
Molecular Weight622.08 g/mol
Exact Mass621.60
IUPAC Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine
SMILESC=C(N)C(=C)C(C)CC1CCC1.C=C(NC(CCC)C(C)(C)C)NC(C(=C)C1CC(C)C(C(C)C)C1C(=C)C)C1(C)CCCC1
InChIInChI=1S/C31H56N2.C11H19N/c1-13-16-26(30(9,10)11)32-24(8)33-29(31(12)17-14-15-18-31)23(7)25-19-22(6)27(20(2)3)28(25)21(4)5;1-8(9(2)10(3)12)7-11-5-4-6-11/h20,22,25-29,32-33H,4,7-8,13-19H2,1-3,5-6,9-12H3;8,11H,2-7,12H2,1H3
InChIKeyASMYSTPSOLQHLR-UHFFFAOYSA-N
XLogP11.32
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.08
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine?
The IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine (CID 143351895) is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine.
What is the SMILES notation for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine?
The canonical SMILES for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine is C=C(N)C(=C)C(C)CC1CCC1.C=C(NC(CCC)C(C)(C)C)NC(C(=C)C1CC(C)C(C(C)C)C1C(=C)C)C1(C)CCCC1.
What is the InChIKey of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine?
The InChIKey is ASMYSTPSOLQHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56N2.C11H19N/c1-13-16-26(30(9,10)11)32-24(8)33-29(31(12)17-14-15-18-31)23(7)25-19-22(6)27(20(2)3)28(25)21(4)5;1-8(9(2)10(3)12)7-11-5-4-6-11/h20,22,25-29,32-33H,4,7-8,13-19H2,1-3,5-6,9-12H3;8,11H,2-7,12H2,1H3.
What are the key properties of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine?
5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine has a molecular weight of 622.08 g/mol, XLogP of 11.32, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;1-N-(2,2-dimethylhexan-3-yl)-1-N'-[1-(1-methylcyclopentyl)-2-(4-methyl-3-propan-2-yl-2-prop-1-en-2-ylcyclopentyl)prop-2-enyl]ethene-1,1-diamine is sourced from PubChem (CID 143351895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).