(Z)-N,N-dimethyltetratriacont-25-en-17-amine

C36H73N — CID 87229276

IUPAC(Z)-N,N-dimethyltetratriacont-25-en-17-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCCCC)N(C)C
InChIInChI=1S/C36H73N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37(3)4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19,21,36H,5-18,20,22-35H2,1-4H3/b21-19-
InChIKeyCQTWQILZBYIIEF-VZCXRCSSSA-N
MW519.99 g/mol
LogP12.83
Rot. Bonds31

About (Z)-N,N-dimethyltetratriacont-25-en-17-amine

(Z)-N,N-dimethyltetratriacont-25-en-17-amine (PubChem CID 87229276) has the molecular formula C36H73N and a molecular weight of 519.99 g/mol. Its IUPAC name is (Z)-N,N-dimethyltetratriacont-25-en-17-amine.

Molecular Properties

Compound Name(Z)-N,N-dimethyltetratriacont-25-en-17-amine
PubChem CID87229276
Molecular FormulaC36H73N
Molecular Weight519.99 g/mol
Exact Mass519.57
IUPAC Name(Z)-N,N-dimethyltetratriacont-25-en-17-amine
SMILESCCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCCCC)N(C)C
InChIInChI=1S/C36H73N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37(3)4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19,21,36H,5-18,20,22-35H2,1-4H3/b21-19-
InChIKeyCQTWQILZBYIIEF-VZCXRCSSSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.99
LogP ≤ 512.83
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,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 (Z)-N,N-dimethyltetratriacont-25-en-17-amine?
The IUPAC name of (Z)-N,N-dimethyltetratriacont-25-en-17-amine (CID 87229276) is (Z)-N,N-dimethyltetratriacont-25-en-17-amine.
What is the SMILES notation for (Z)-N,N-dimethyltetratriacont-25-en-17-amine?
The canonical SMILES for (Z)-N,N-dimethyltetratriacont-25-en-17-amine is CCCCCCCC/C=C\CCCCCCCC(CCCCCCCCCCCCCCCC)N(C)C.
What is the InChIKey of (Z)-N,N-dimethyltetratriacont-25-en-17-amine?
The InChIKey is CQTWQILZBYIIEF-VZCXRCSSSA-N. The full InChI is InChI=1S/C36H73N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-36(37(3)4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19,21,36H,5-18,20,22-35H2,1-4H3/b21-19-.
What are the key properties of (Z)-N,N-dimethyltetratriacont-25-en-17-amine?
(Z)-N,N-dimethyltetratriacont-25-en-17-amine has a molecular weight of 519.99 g/mol, XLogP of 12.83, 31 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-dimethyltetratriacont-25-en-17-amine is sourced from PubChem (CID 87229276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).