(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine

C34H69N — CID 129288005

IUPAC(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine
SMILESCCCC(C)(C)CC(C)(C)CC(CCC(C)CC(C)CC)C(N)CC(C)/C=C\C(CC)CC(C)C
InChIInChI=1S/C34H69N/c1-13-20-33(9,10)25-34(11,12)24-31(19-17-28(7)22-27(6)14-2)32(35)23-29(8)16-18-30(15-3)21-26(4)5/h16,18,26-32H,13-15,17,19-25,35H2,1-12H3/b18-16-
InChIKeyFHAGJEVLGAZPPJ-VLGSPTGOSA-N
MW491.93 g/mol
LogP11.07
Rot. Bonds20

About (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine

(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine (PubChem CID 129288005) has the molecular formula C34H69N and a molecular weight of 491.93 g/mol. Its IUPAC name is (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine.

Molecular Properties

Compound Name(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine
PubChem CID129288005
Molecular FormulaC34H69N
Molecular Weight491.93 g/mol
Exact Mass491.54
IUPAC Name(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine
SMILESCCCC(C)(C)CC(C)(C)CC(CCC(C)CC(C)CC)C(N)CC(C)/C=C\C(CC)CC(C)C
InChIInChI=1S/C34H69N/c1-13-20-33(9,10)25-34(11,12)24-31(19-17-28(7)22-27(6)14-2)32(35)23-29(8)16-18-30(15-3)21-26(4)5/h16,18,26-32H,13-15,17,19-25,35H2,1-12H3/b18-16-
InChIKeyFHAGJEVLGAZPPJ-VLGSPTGOSA-N
XLogP11.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.93
LogP ≤ 511.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine?
The IUPAC name of (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine (CID 129288005) is (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine.
What is the SMILES notation for (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine?
The canonical SMILES for (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine is CCCC(C)(C)CC(C)(C)CC(CCC(C)CC(C)CC)C(N)CC(C)/C=C\C(CC)CC(C)C.
What is the InChIKey of (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine?
The InChIKey is FHAGJEVLGAZPPJ-VLGSPTGOSA-N. The full InChI is InChI=1S/C34H69N/c1-13-20-33(9,10)25-34(11,12)24-31(19-17-28(7)22-27(6)14-2)32(35)23-29(8)16-18-30(15-3)21-26(4)5/h16,18,26-32H,13-15,17,19-25,35H2,1-12H3/b18-16-.
What are the key properties of (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine?
(Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine has a molecular weight of 491.93 g/mol, XLogP of 11.07, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-10-(3,5-dimethylheptyl)-4-ethyl-2,7,12,12,14,14-hexamethylheptadec-5-en-9-amine is sourced from PubChem (CID 129288005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).