N,N-dimethyloctan-1-amine

C20H46N2 — CID 161279104

IUPACN,N-dimethyloctan-1-amine
SMILESCCCCCCCCN(C)C.CCCCCCCCN(C)C
InChIInChI=1S/2C10H23N/c2*1-4-5-6-7-8-9-10-11(2)3/h2*4-10H2,1-3H3
InChIKeyVEVLRSAIDXLSEU-UHFFFAOYSA-N
MW314.60 g/mol
LogP5.82
Rot. Bonds14

About N,N-dimethyloctan-1-amine

N,N-dimethyloctan-1-amine (PubChem CID 161279104) has the molecular formula C20H46N2 and a molecular weight of 314.60 g/mol. Its IUPAC name is N,N-dimethyloctan-1-amine.

Molecular Properties

Compound NameN,N-dimethyloctan-1-amine
PubChem CID161279104
Molecular FormulaC20H46N2
Molecular Weight314.60 g/mol
Exact Mass314.37
IUPAC NameN,N-dimethyloctan-1-amine
SMILESCCCCCCCCN(C)C.CCCCCCCCN(C)C
InChIInChI=1S/2C10H23N/c2*1-4-5-6-7-8-9-10-11(2)3/h2*4-10H2,1-3H3
InChIKeyVEVLRSAIDXLSEU-UHFFFAOYSA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.60
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
borane;N,N-dimethylhexan-1-amine
CID 134905026
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
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-dimethyloctan-1-amine?
The IUPAC name of N,N-dimethyloctan-1-amine (CID 161279104) is N,N-dimethyloctan-1-amine.
What is the SMILES notation for N,N-dimethyloctan-1-amine?
The canonical SMILES for N,N-dimethyloctan-1-amine is CCCCCCCCN(C)C.CCCCCCCCN(C)C.
What is the InChIKey of N,N-dimethyloctan-1-amine?
The InChIKey is VEVLRSAIDXLSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H23N/c2*1-4-5-6-7-8-9-10-11(2)3/h2*4-10H2,1-3H3.
What are the key properties of N,N-dimethyloctan-1-amine?
N,N-dimethyloctan-1-amine has a molecular weight of 314.60 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloctan-1-amine is sourced from PubChem (CID 161279104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).