N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine

C18H37N — CID 19893643

IUPACN-[(E)-2-methylhept-3-en-2-yl]decan-1-amine
SMILESCCC/C=C/C(C)(C)NCCCCCCCCCC
InChIInChI=1S/C18H37N/c1-5-7-9-10-11-12-13-15-17-19-18(3,4)16-14-8-6-2/h14,16,19H,5-13,15,17H2,1-4H3/b16-14+
InChIKeyHBMZQTAHRPMDCW-JQIJEIRASA-N
MW267.50 g/mol
LogP5.85
Rot. Bonds13

About N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine

N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine (PubChem CID 19893643) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine.

Molecular Properties

Compound NameN-[(E)-2-methylhept-3-en-2-yl]decan-1-amine
PubChem CID19893643
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[(E)-2-methylhept-3-en-2-yl]decan-1-amine
SMILESCCC/C=C/C(C)(C)NCCCCCCCCCC
InChIInChI=1S/C18H37N/c1-5-7-9-10-11-12-13-15-17-19-18(3,4)16-14-8-6-2/h14,16,19H,5-13,15,17H2,1-4H3/b16-14+
InChIKeyHBMZQTAHRPMDCW-JQIJEIRASA-N
XLogP5.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.85
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine?
The IUPAC name of N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine (CID 19893643) is N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine.
What is the SMILES notation for N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine?
The canonical SMILES for N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine is CCC/C=C/C(C)(C)NCCCCCCCCCC.
What is the InChIKey of N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine?
The InChIKey is HBMZQTAHRPMDCW-JQIJEIRASA-N. The full InChI is InChI=1S/C18H37N/c1-5-7-9-10-11-12-13-15-17-19-18(3,4)16-14-8-6-2/h14,16,19H,5-13,15,17H2,1-4H3/b16-14+.
What are the key properties of N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine?
N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.85, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-methylhept-3-en-2-yl]decan-1-amine is sourced from PubChem (CID 19893643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).