N,N-dimethylnonadecan-1-amine

C21H45N — CID 546994

IUPACN,N-dimethylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h4-21H2,1-3H3
InChIKeyPKMWMAMVKCMWQG-UHFFFAOYSA-N
MW311.60 g/mol
LogP7.20
Rot. Bonds18

About N,N-dimethylnonadecan-1-amine

N,N-dimethylnonadecan-1-amine (PubChem CID 546994) has the molecular formula C21H45N and a molecular weight of 311.60 g/mol. Its IUPAC name is N,N-dimethylnonadecan-1-amine.

Molecular Properties

Compound NameN,N-dimethylnonadecan-1-amine
PubChem CID546994
Molecular FormulaC21H45N
Molecular Weight311.60 g/mol
Exact Mass311.36
IUPAC NameN,N-dimethylnonadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCCCN(C)C
InChIInChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h4-21H2,1-3H3
InChIKeyPKMWMAMVKCMWQG-UHFFFAOYSA-N
XLogP7.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.60
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
chloroethane;N,N-dimethylhexadecan-1-amine
CID 87849002

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylnonadecan-1-amine?
The IUPAC name of N,N-dimethylnonadecan-1-amine (CID 546994) is N,N-dimethylnonadecan-1-amine.
What is the SMILES notation for N,N-dimethylnonadecan-1-amine?
The canonical SMILES for N,N-dimethylnonadecan-1-amine is CCCCCCCCCCCCCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethylnonadecan-1-amine?
The InChIKey is PKMWMAMVKCMWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h4-21H2,1-3H3.
What are the key properties of N,N-dimethylnonadecan-1-amine?
N,N-dimethylnonadecan-1-amine has a molecular weight of 311.60 g/mol, XLogP of 7.20, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylnonadecan-1-amine is sourced from PubChem (CID 546994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).