N-methylheptadec-1-en-2-amine

C18H37N — CID 89283401

IUPACN-methylheptadec-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h19H,2,4-17H2,1,3H3
InChIKeyRDHCMSJRDUCBED-UHFFFAOYSA-N
MW267.50 g/mol
LogP6.20
Rot. Bonds15

About N-methylheptadec-1-en-2-amine

N-methylheptadec-1-en-2-amine (PubChem CID 89283401) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-methylheptadec-1-en-2-amine.

Molecular Properties

Compound NameN-methylheptadec-1-en-2-amine
PubChem CID89283401
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-methylheptadec-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCC)NC
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h19H,2,4-17H2,1,3H3
InChIKeyRDHCMSJRDUCBED-UHFFFAOYSA-N
XLogP6.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylheptadec-1-en-2-amine?
The IUPAC name of N-methylheptadec-1-en-2-amine (CID 89283401) is N-methylheptadec-1-en-2-amine.
What is the SMILES notation for N-methylheptadec-1-en-2-amine?
The canonical SMILES for N-methylheptadec-1-en-2-amine is C=C(CCCCCCCCCCCCCCC)NC.
What is the InChIKey of N-methylheptadec-1-en-2-amine?
The InChIKey is RDHCMSJRDUCBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19-3/h19H,2,4-17H2,1,3H3.
What are the key properties of N-methylheptadec-1-en-2-amine?
N-methylheptadec-1-en-2-amine has a molecular weight of 267.50 g/mol, XLogP of 6.20, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylheptadec-1-en-2-amine is sourced from PubChem (CID 89283401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).