N,N-dimethyldotriacont-24-en-10-amine

C34H69N — CID 175230423

IUPACN,N-dimethyldotriacont-24-en-10-amine
SMILESCCCCCCCC=CCCCCCCCCCCCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C34H69N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-34(35(3)4)32-30-28-26-12-10-8-6-2/h15-16,34H,5-14,17-33H2,1-4H3
InChIKeyITMCXDHQUZFKFB-UHFFFAOYSA-N
MW491.93 g/mol
LogP12.05
Rot. Bonds29

About N,N-dimethyldotriacont-24-en-10-amine

N,N-dimethyldotriacont-24-en-10-amine (PubChem CID 175230423) has the molecular formula C34H69N and a molecular weight of 491.93 g/mol. Its IUPAC name is N,N-dimethyldotriacont-24-en-10-amine.

Molecular Properties

Compound NameN,N-dimethyldotriacont-24-en-10-amine
PubChem CID175230423
Molecular FormulaC34H69N
Molecular Weight491.93 g/mol
Exact Mass491.54
IUPAC NameN,N-dimethyldotriacont-24-en-10-amine
SMILESCCCCCCCC=CCCCCCCCCCCCCCC(CCCCCCCCC)N(C)C
InChIInChI=1S/C34H69N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-34(35(3)4)32-30-28-26-12-10-8-6-2/h15-16,34H,5-14,17-33H2,1-4H3
InChIKeyITMCXDHQUZFKFB-UHFFFAOYSA-N
XLogP12.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.93
LogP ≤ 512.05
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
(Z,10R)-N,N-dimethylnonacos-17-en-10-amine
CID 126711357
(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-dimethyldotriacont-24-en-10-amine?
The IUPAC name of N,N-dimethyldotriacont-24-en-10-amine (CID 175230423) is N,N-dimethyldotriacont-24-en-10-amine.
What is the SMILES notation for N,N-dimethyldotriacont-24-en-10-amine?
The canonical SMILES for N,N-dimethyldotriacont-24-en-10-amine is CCCCCCCC=CCCCCCCCCCCCCCC(CCCCCCCCC)N(C)C.
What is the InChIKey of N,N-dimethyldotriacont-24-en-10-amine?
The InChIKey is ITMCXDHQUZFKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69N/c1-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-34(35(3)4)32-30-28-26-12-10-8-6-2/h15-16,34H,5-14,17-33H2,1-4H3.
What are the key properties of N,N-dimethyldotriacont-24-en-10-amine?
N,N-dimethyldotriacont-24-en-10-amine has a molecular weight of 491.93 g/mol, XLogP of 12.05, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldotriacont-24-en-10-amine is sourced from PubChem (CID 175230423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).