5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane

C54H116N2 — CID 143357870

IUPAC5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane
SMILESC=C(C)NCC(C)(C)C.C=C(CC(C(=C)C)[C@H](CCC)C(C)C)C(C)C(C)CCCCC.C=C(N)C(=C)C(C)CC1CCC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C23H44.C11H19N.C8H17N.6C2H6/c1-10-12-13-15-19(7)21(9)20(8)16-23(18(5)6)22(14-11-2)17(3)4;1-8(9(2)10(3)12)7-11-5-4-6-11;1-7(2)9-6-8(3,4)5;6*1-2/h17,19,21-23H,5,8,10-16H2,1-4,6-7,9H3;8,11H,2-7,12H2,1H3;9H,1,6H2,2-5H3;6*1-2H3/t19?,21?,22-,23?;;;;;;;;/m1......../s1
InChIKeyAMVSEVVZQATMQM-ZZVWPCHTSA-N
MW793.54 g/mol
LogP19.20
Rot. Bonds19

About 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane

5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane (PubChem CID 143357870) has the molecular formula C54H116N2 and a molecular weight of 793.54 g/mol. Its IUPAC name is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane.

Molecular Properties

Compound Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane
PubChem CID143357870
Molecular FormulaC54H116N2
Molecular Weight793.54 g/mol
Exact Mass792.91
IUPAC Name5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane
SMILESC=C(C)NCC(C)(C)C.C=C(CC(C(=C)C)[C@H](CCC)C(C)C)C(C)C(C)CCCCC.C=C(N)C(=C)C(C)CC1CCC1.CC.CC.CC.CC.CC.CC
InChIInChI=1S/C23H44.C11H19N.C8H17N.6C2H6/c1-10-12-13-15-19(7)21(9)20(8)16-23(18(5)6)22(14-11-2)17(3)4;1-8(9(2)10(3)12)7-11-5-4-6-11;1-7(2)9-6-8(3,4)5;6*1-2/h17,19,21-23H,5,8,10-16H2,1-4,6-7,9H3;8,11H,2-7,12H2,1H3;9H,1,6H2,2-5H3;6*1-2H3/t19?,21?,22-,23?;;;;;;;;/m1......../s1
InChIKeyAMVSEVVZQATMQM-ZZVWPCHTSA-N
XLogP19.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.54
LogP ≤ 519.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane?
The IUPAC name of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane (CID 143357870) is 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane.
What is the SMILES notation for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane?
The canonical SMILES for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane is C=C(C)NCC(C)(C)C.C=C(CC(C(=C)C)[C@H](CCC)C(C)C)C(C)C(C)CCCCC.C=C(N)C(=C)C(C)CC1CCC1.CC.CC.CC.CC.CC.CC.
What is the InChIKey of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane?
The InChIKey is AMVSEVVZQATMQM-ZZVWPCHTSA-N. The full InChI is InChI=1S/C23H44.C11H19N.C8H17N.6C2H6/c1-10-12-13-15-19(7)21(9)20(8)16-23(18(5)6)22(14-11-2)17(3)4;1-8(9(2)10(3)12)7-11-5-4-6-11;1-7(2)9-6-8(3,4)5;6*1-2/h17,19,21-23H,5,8,10-16H2,1-4,6-7,9H3;8,11H,2-7,12H2,1H3;9H,1,6H2,2-5H3;6*1-2H3/t19?,21?,22-,23?;;;;;;;;/m1......../s1.
What are the key properties of 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane?
5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane has a molecular weight of 793.54 g/mol, XLogP of 19.20, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-methyl-3-methylidenepent-1-en-2-amine;(4R)-8,9-dimethyl-7-methylidene-4-propan-2-yl-5-prop-1-en-2-yltetradecane;2,2-dimethyl-N-prop-1-en-2-ylpropan-1-amine;ethane is sourced from PubChem (CID 143357870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).