N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine

C25H51N — CID 123594746

IUPACN-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine
SMILESCCCCCC(CC)CCCCCNCC(C)C(=CC(CC)CC)CC
InChIInChI=1S/C25H51N/c1-7-12-14-17-24(10-4)18-15-13-16-19-26-21-22(6)25(11-5)20-23(8-2)9-3/h20,22-24,26H,7-19,21H2,1-6H3
InChIKeyADSFWOILWOLOMT-UHFFFAOYSA-N
MW365.69 g/mol
LogP8.15
Rot. Bonds18

About N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine

N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine (PubChem CID 123594746) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine.

Molecular Properties

Compound NameN-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine
PubChem CID123594746
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC NameN-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine
SMILESCCCCCC(CC)CCCCCNCC(C)C(=CC(CC)CC)CC
InChIInChI=1S/C25H51N/c1-7-12-14-17-24(10-4)18-15-13-16-19-26-21-22(6)25(11-5)20-23(8-2)9-3/h20,22-24,26H,7-19,21H2,1-6H3
InChIKeyADSFWOILWOLOMT-UHFFFAOYSA-N
XLogP8.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 58.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
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4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine?
The IUPAC name of N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine (CID 123594746) is N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine.
What is the SMILES notation for N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine?
The canonical SMILES for N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine is CCCCCC(CC)CCCCCNCC(C)C(=CC(CC)CC)CC.
What is the InChIKey of N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine?
The InChIKey is ADSFWOILWOLOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-7-12-14-17-24(10-4)18-15-13-16-19-26-21-22(6)25(11-5)20-23(8-2)9-3/h20,22-24,26H,7-19,21H2,1-6H3.
What are the key properties of N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine?
N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine has a molecular weight of 365.69 g/mol, XLogP of 8.15, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diethyl-2-methylhept-3-enyl)-6-ethylundecan-1-amine is sourced from PubChem (CID 123594746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).