(Z)-docos-13-en-1-amine

C22H45N — CID 20841368

IUPAC(Z)-docos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN
InChIInChI=1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-23H2,1H3/b10-9-
InChIKeySYWDPPFYAMFYQQ-KTKRTIGZSA-N
MW323.61 g/mol
LogP7.54
Rot. Bonds19

About (Z)-docos-13-en-1-amine

(Z)-docos-13-en-1-amine (PubChem CID 20841368) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is (Z)-docos-13-en-1-amine.

Molecular Properties

Compound Name(Z)-docos-13-en-1-amine
PubChem CID20841368
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name(Z)-docos-13-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCN
InChIInChI=1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-23H2,1H3/b10-9-
InChIKeySYWDPPFYAMFYQQ-KTKRTIGZSA-N
XLogP7.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 57.54
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 (Z)-docos-13-en-1-amine?
The IUPAC name of (Z)-docos-13-en-1-amine (CID 20841368) is (Z)-docos-13-en-1-amine.
What is the SMILES notation for (Z)-docos-13-en-1-amine?
The canonical SMILES for (Z)-docos-13-en-1-amine is CCCCCCCC/C=C\CCCCCCCCCCCCN.
What is the InChIKey of (Z)-docos-13-en-1-amine?
The InChIKey is SYWDPPFYAMFYQQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C22H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10H,2-8,11-23H2,1H3/b10-9-.
What are the key properties of (Z)-docos-13-en-1-amine?
(Z)-docos-13-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 7.54, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-docos-13-en-1-amine is sourced from PubChem (CID 20841368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).