1-N,3-dimethylhenicosane-1,3-diamine

C23H50N2 — CID 175200070

IUPAC1-N,3-dimethylhenicosane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)CCNC
InChIInChI=1S/C23H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,24)21-22-25-3/h25H,4-22,24H2,1-3H3
InChIKeyKELFWIDJEHSUHO-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.96
Rot. Bonds20

About 1-N,3-dimethylhenicosane-1,3-diamine

1-N,3-dimethylhenicosane-1,3-diamine (PubChem CID 175200070) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is 1-N,3-dimethylhenicosane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethylhenicosane-1,3-diamine
PubChem CID175200070
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Name1-N,3-dimethylhenicosane-1,3-diamine
SMILESCCCCCCCCCCCCCCCCCCC(C)(N)CCNC
InChIInChI=1S/C23H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,24)21-22-25-3/h25H,4-22,24H2,1-3H3
InChIKeyKELFWIDJEHSUHO-UHFFFAOYSA-N
XLogP6.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3,3-trimethyldecan-1-amine
CID 81022297
N,3,3-trimethylpentadecan-1-amine
CID 81023479
3-methyloctadecan-3-amine
CID 54058172
2-methyloctane-1,2-diamine
CID 43519506
(Z)-1-N,3-dimethyldec-6-ene-1,3-diamine
CID 134526562
2-amino-2-methylhexadecan-1-ol
CID 87201246
3-amino-3-methyloctan-1-ol
CID 80558733
1-methoxy-3-methyldodecan-3-amine
CID 62620545
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methyltriacontan-1-amine
CID 19840895
3-methyl-1-(methylamino)pentadecane-3-sulfonic acid
CID 141244071
3-methyl-1-trimethoxysilylheptadecan-3-amine;hydrochloride
CID 173162005

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethylhenicosane-1,3-diamine?
The IUPAC name of 1-N,3-dimethylhenicosane-1,3-diamine (CID 175200070) is 1-N,3-dimethylhenicosane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethylhenicosane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethylhenicosane-1,3-diamine is CCCCCCCCCCCCCCCCCCC(C)(N)CCNC.
What is the InChIKey of 1-N,3-dimethylhenicosane-1,3-diamine?
The InChIKey is KELFWIDJEHSUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,24)21-22-25-3/h25H,4-22,24H2,1-3H3.
What are the key properties of 1-N,3-dimethylhenicosane-1,3-diamine?
1-N,3-dimethylhenicosane-1,3-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.96, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethylhenicosane-1,3-diamine is sourced from PubChem (CID 175200070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).