(Z)-N,N-dimethylhenicos-12-en-1-amine

C23H47N — CID 173308130

IUPAC(Z)-N,N-dimethylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCN(C)C
InChIInChI=1S/C23H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3/h11-12H,4-10,13-23H2,1-3H3/b12-11-
InChIKeyLADUZXGGOQZMFH-QXMHVHEDSA-N
MW337.64 g/mol
LogP7.76
Rot. Bonds19

About (Z)-N,N-dimethylhenicos-12-en-1-amine

(Z)-N,N-dimethylhenicos-12-en-1-amine (PubChem CID 173308130) has the molecular formula C23H47N and a molecular weight of 337.64 g/mol. Its IUPAC name is (Z)-N,N-dimethylhenicos-12-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethylhenicos-12-en-1-amine
PubChem CID173308130
Molecular FormulaC23H47N
Molecular Weight337.64 g/mol
Exact Mass337.37
IUPAC Name(Z)-N,N-dimethylhenicos-12-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCCCCN(C)C
InChIInChI=1S/C23H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3/h11-12H,4-10,13-23H2,1-3H3/b12-11-
InChIKeyLADUZXGGOQZMFH-QXMHVHEDSA-N
XLogP7.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 57.76
H-Bond Donors ≤ 50
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

(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
CID 6437658
N,N-dimethylheptadec-3-en-1-amine;hydrochloride
CID 173393546
(E)-N,N-dimethylnon-3-en-1-amine
CID 13212920
N,N-dimethyl-N'-[(E)-octadec-9-enyl]-N'-octylethane-1,2-diamine
CID 71498362
1-chloroethanol;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 121437265
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 88520561
(15Z,18Z)-N,N-dimethyl-6-octadeca-9,12-dienyltetracosa-15,18-dien-1-amine
CID 171447799
(Z)-N,N-bis[(Z)-docos-13-enyl]docos-13-en-1-amine
CID 87119903

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-dimethylhenicos-12-en-1-amine?
The IUPAC name of (Z)-N,N-dimethylhenicos-12-en-1-amine (CID 173308130) is (Z)-N,N-dimethylhenicos-12-en-1-amine.
What is the SMILES notation for (Z)-N,N-dimethylhenicos-12-en-1-amine?
The canonical SMILES for (Z)-N,N-dimethylhenicos-12-en-1-amine is CCCCCCCC/C=C\CCCCCCCCCCCN(C)C.
What is the InChIKey of (Z)-N,N-dimethylhenicos-12-en-1-amine?
The InChIKey is LADUZXGGOQZMFH-QXMHVHEDSA-N. The full InChI is InChI=1S/C23H47N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(2)3/h11-12H,4-10,13-23H2,1-3H3/b12-11-.
What are the key properties of (Z)-N,N-dimethylhenicos-12-en-1-amine?
(Z)-N,N-dimethylhenicos-12-en-1-amine has a molecular weight of 337.64 g/mol, XLogP of 7.76, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethylhenicos-12-en-1-amine is sourced from PubChem (CID 173308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).