(Z)-N-ethylnonadec-10-en-2-amine

C21H43N — CID 90035830

IUPAC(Z)-N-ethylnonadec-10-en-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(C)NCC
InChIInChI=1S/C21H43N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22-5-2/h12-13,21-22H,4-11,14-20H2,1-3H3/b13-12-
InChIKeyHTCGJSJYQHEBGQ-SEYXRHQNSA-N
MW309.58 g/mol
LogP7.02
Rot. Bonds17

About (Z)-N-ethylnonadec-10-en-2-amine

(Z)-N-ethylnonadec-10-en-2-amine (PubChem CID 90035830) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is (Z)-N-ethylnonadec-10-en-2-amine.

Molecular Properties

Compound Name(Z)-N-ethylnonadec-10-en-2-amine
PubChem CID90035830
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name(Z)-N-ethylnonadec-10-en-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(C)NCC
InChIInChI=1S/C21H43N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22-5-2/h12-13,21-22H,4-11,14-20H2,1-3H3/b13-12-
InChIKeyHTCGJSJYQHEBGQ-SEYXRHQNSA-N
XLogP7.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.02
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

2-methylhenicos-9-ene
CID 54211724
(E)-2-methylheptadec-7-ene
CID 173124832
(Z)-22-methyltricos-9-ene
CID 152752766
(E)-2-methylheptadec-8-ene
CID 20541049
(E)-13-methyltetracos-6-ene
CID 173194183
12-methylicos-6-ene
CID 91498266
docosane;4-N-ethylpentane-1,4-diamine
CID 174439569
(Z)-14-methyltricos-9-ene
CID 15730850
11-methylheptadec-6-ene
CID 91113943
heptadec-9-en-2-ol
CID 54154410
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-20-methyloctacos-4-ene
CID 173194294

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethylnonadec-10-en-2-amine?
The IUPAC name of (Z)-N-ethylnonadec-10-en-2-amine (CID 90035830) is (Z)-N-ethylnonadec-10-en-2-amine.
What is the SMILES notation for (Z)-N-ethylnonadec-10-en-2-amine?
The canonical SMILES for (Z)-N-ethylnonadec-10-en-2-amine is CCCCCCCC/C=C\CCCCCCCC(C)NCC.
What is the InChIKey of (Z)-N-ethylnonadec-10-en-2-amine?
The InChIKey is HTCGJSJYQHEBGQ-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H43N/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3)22-5-2/h12-13,21-22H,4-11,14-20H2,1-3H3/b13-12-.
What are the key properties of (Z)-N-ethylnonadec-10-en-2-amine?
(Z)-N-ethylnonadec-10-en-2-amine has a molecular weight of 309.58 g/mol, XLogP of 7.02, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethylnonadec-10-en-2-amine is sourced from PubChem (CID 90035830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).