N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride

C17H36ClNO — CID 174764683

IUPACN,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
SMILESCCCCCCCCCC(CCN(C)C)CC1CO1.Cl
InChIInChI=1S/C17H35NO.ClH/c1-4-5-6-7-8-9-10-11-16(12-13-18(2)3)14-17-15-19-17;/h16-17H,4-15H2,1-3H3;1H
InChIKeyVCZOQPPOSGQNHJ-UHFFFAOYSA-N
MW305.93 g/mol
LogP4.91
Rot. Bonds13

About N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride

N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride (PubChem CID 174764683) has the molecular formula C17H36ClNO and a molecular weight of 305.93 g/mol. Its IUPAC name is N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
PubChem CID174764683
Molecular FormulaC17H36ClNO
Molecular Weight305.93 g/mol
Exact Mass305.25
IUPAC NameN,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride
SMILESCCCCCCCCCC(CCN(C)C)CC1CO1.Cl
InChIInChI=1S/C17H35NO.ClH/c1-4-5-6-7-8-9-10-11-16(12-13-18(2)3)14-17-15-19-17;/h16-17H,4-15H2,1-3H3;1H
InChIKeyVCZOQPPOSGQNHJ-UHFFFAOYSA-N
XLogP4.91
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.93
LogP ≤ 54.91
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

2-(2-ethylhexadecyl)oxirane
CID 174869726
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane;vanadium
CID 20723720
6-(oxiran-2-ylmethyl)dodecyl-undecylphosphane
CID 20723721
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine
CID 19003491
N,N-dimethyl-1-(oxiran-2-yl)tridecan-2-amine;hydrobromide
CID 174053587
N,N-dimethyl-1-(oxiran-2-yl)undecan-2-amine;hydrobromide
CID 173173918
N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
CID 174594174
10-(oxiran-2-ylmethyl)-N-[6-[10-(oxiran-2-ylmethyl)octadecanoylamino]hexyl]octadecanamide
CID 87578056
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
2-(2,3-dimethyltridecyl)oxirane
CID 56626269
2-(2-octyldecyl)-1,3-dioxolane
CID 68995066
(2R)-1-[(2R)-oxiran-2-yl]heptan-2-ol
CID 129387071

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride (CID 174764683) is N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride is CCCCCCCCCC(CCN(C)C)CC1CO1.Cl.
What is the InChIKey of N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride?
The InChIKey is VCZOQPPOSGQNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.ClH/c1-4-5-6-7-8-9-10-11-16(12-13-18(2)3)14-17-15-19-17;/h16-17H,4-15H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride?
N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride has a molecular weight of 305.93 g/mol, XLogP of 4.91, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(oxiran-2-ylmethyl)dodecan-1-amine;hydrochloride is sourced from PubChem (CID 174764683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).