N,N-dimethyltetracos-17-en-9-amine

C26H53N — CID 123150200

IUPACN,N-dimethyltetracos-17-en-9-amine
SMILESCCCCCCC=CCCCCCCCC(CCCCCCCC)N(C)C
InChIInChI=1S/C26H53N/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-26(27(3)4)24-22-20-12-10-8-6-2/h14-15,26H,5-13,16-25H2,1-4H3
InChIKeySJMXKYSOAXOIJY-UHFFFAOYSA-N
MW379.72 g/mol
LogP8.92
Rot. Bonds21

About N,N-dimethyltetracos-17-en-9-amine

N,N-dimethyltetracos-17-en-9-amine (PubChem CID 123150200) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is N,N-dimethyltetracos-17-en-9-amine.

Molecular Properties

Compound NameN,N-dimethyltetracos-17-en-9-amine
PubChem CID123150200
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC NameN,N-dimethyltetracos-17-en-9-amine
SMILESCCCCCCC=CCCCCCCCC(CCCCCCCC)N(C)C
InChIInChI=1S/C26H53N/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-26(27(3)4)24-22-20-12-10-8-6-2/h14-15,26H,5-13,16-25H2,1-4H3
InChIKeySJMXKYSOAXOIJY-UHFFFAOYSA-N
XLogP8.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.92
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

(Z)-N,N-dimethyltetratriacont-25-en-17-amine
CID 87229276
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
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 N,N-dimethyltetracos-17-en-9-amine?
The IUPAC name of N,N-dimethyltetracos-17-en-9-amine (CID 123150200) is N,N-dimethyltetracos-17-en-9-amine.
What is the SMILES notation for N,N-dimethyltetracos-17-en-9-amine?
The canonical SMILES for N,N-dimethyltetracos-17-en-9-amine is CCCCCCC=CCCCCCCCC(CCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyltetracos-17-en-9-amine?
The InChIKey is SJMXKYSOAXOIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N/c1-5-7-9-11-13-14-15-16-17-18-19-21-23-25-26(27(3)4)24-22-20-12-10-8-6-2/h14-15,26H,5-13,16-25H2,1-4H3.
What are the key properties of N,N-dimethyltetracos-17-en-9-amine?
N,N-dimethyltetracos-17-en-9-amine has a molecular weight of 379.72 g/mol, XLogP of 8.92, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyltetracos-17-en-9-amine is sourced from PubChem (CID 123150200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).