(Z,10R)-N,N-dimethylnonacos-17-en-10-amine

C31H63N — CID 126711357

IUPAC(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
SMILESCCCCCCCCCCC/C=C\CCCCCC[C@@H](CCCCCCCCC)N(C)C
InChIInChI=1S/C31H63N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h19-20,31H,5-18,21-30H2,1-4H3/b20-19-/t31-/m1/s1
InChIKeyGOSOKZSRSXUCAH-YAXHWRKQSA-N
MW449.85 g/mol
LogP10.88
Rot. Bonds26

About (Z,10R)-N,N-dimethylnonacos-17-en-10-amine

(Z,10R)-N,N-dimethylnonacos-17-en-10-amine (PubChem CID 126711357) has the molecular formula C31H63N and a molecular weight of 449.85 g/mol. Its IUPAC name is (Z,10R)-N,N-dimethylnonacos-17-en-10-amine.

Molecular Properties

Compound Name(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
PubChem CID126711357
Molecular FormulaC31H63N
Molecular Weight449.85 g/mol
Exact Mass449.50
IUPAC Name(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
SMILESCCCCCCCCCCC/C=C\CCCCCC[C@@H](CCCCCCCCC)N(C)C
InChIInChI=1S/C31H63N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h19-20,31H,5-18,21-30H2,1-4H3/b20-19-/t31-/m1/s1
InChIKeyGOSOKZSRSXUCAH-YAXHWRKQSA-N
XLogP10.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.85
LogP ≤ 510.88
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

N,N-dimethyltetracos-17-en-9-amine
CID 123150200
(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
N,N-dimethyldotriacont-24-en-10-amine
CID 175230423
(18E,21E)-N,N-dimethylheptacosa-18,21-dien-10-amine
CID 87170077
(25Z)-N,N-dimethylhentriaconta-22,25-dien-10-amine
CID 175715549
(12Z,15Z)-N,N-dimethylhenicosa-12,15-dien-4-amine
CID 56944147
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
(20Z,23Z)-N-ethyl-N-methylnonacosa-20,23-dien-10-amine
CID 56944347

Frequently Asked Questions

What is the IUPAC name of (Z,10R)-N,N-dimethylnonacos-17-en-10-amine?
The IUPAC name of (Z,10R)-N,N-dimethylnonacos-17-en-10-amine (CID 126711357) is (Z,10R)-N,N-dimethylnonacos-17-en-10-amine.
What is the SMILES notation for (Z,10R)-N,N-dimethylnonacos-17-en-10-amine?
The canonical SMILES for (Z,10R)-N,N-dimethylnonacos-17-en-10-amine is CCCCCCCCCCC/C=C\CCCCCC[C@@H](CCCCCCCCC)N(C)C.
What is the InChIKey of (Z,10R)-N,N-dimethylnonacos-17-en-10-amine?
The InChIKey is GOSOKZSRSXUCAH-YAXHWRKQSA-N. The full InChI is InChI=1S/C31H63N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-31(32(3)4)29-27-25-23-12-10-8-6-2/h19-20,31H,5-18,21-30H2,1-4H3/b20-19-/t31-/m1/s1.
What are the key properties of (Z,10R)-N,N-dimethylnonacos-17-en-10-amine?
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine has a molecular weight of 449.85 g/mol, XLogP of 10.88, 26 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,10R)-N,N-dimethylnonacos-17-en-10-amine is sourced from PubChem (CID 126711357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).