N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine

C17H35NO — CID 19003491

IUPACN,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(CC1CO1)N(C)C
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17-15-19-17/h16-17H,4-15H2,1-3H3
InChIKeyAZNLUZKGBWWHNO-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.63
Rot. Bonds13

About N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine

N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine (PubChem CID 19003491) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
PubChem CID19003491
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
SMILESCCCCCCCCCCCC(CC1CO1)N(C)C
InChIInChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17-15-19-17/h16-17H,4-15H2,1-3H3
InChIKeyAZNLUZKGBWWHNO-UHFFFAOYSA-N
XLogP4.63
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
CID 173173918
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine;hydrobromide
CID 174053587
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
2-(2-ethylhexadecyl)oxirane
CID 174869726
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
CID 174764683
(8S)-N,N-dimethyl-1-[(2R)-2-octylcyclopropyl]pentadecan-8-amine
CID 126566336
N,N-dimethyl-21-[(1S,2R)-2-octylcyclopropyl]henicosan-10-amine
CID 56944623

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine?
The IUPAC name of N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine (CID 19003491) is N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine?
The canonical SMILES for N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine is CCCCCCCCCCCC(CC1CO1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine?
The InChIKey is AZNLUZKGBWWHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17-15-19-17/h16-17H,4-15H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine?
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.63, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine is sourced from PubChem (CID 19003491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).