N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride

C17H38ClNO2 — CID 174594174

IUPACN,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
SMILESCCCCCCCCCCCCN(C)C.Cl.OCC1CO1
InChIInChI=1S/C14H31N.C3H6O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-1-3-2-5-3;/h4-14H2,1-3H3;3-4H,1-2H2;1H
InChIKeyMGRDWVRAYSMWRK-UHFFFAOYSA-N
MW323.95 g/mol
LogP4.27
Rot. Bonds12

About N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride

N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride (PubChem CID 174594174) has the molecular formula C17H38ClNO2 and a molecular weight of 323.95 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
PubChem CID174594174
Molecular FormulaC17H38ClNO2
Molecular Weight323.95 g/mol
Exact Mass323.26
IUPAC NameN,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
SMILESCCCCCCCCCCCCN(C)C.Cl.OCC1CO1
InChIInChI=1S/C14H31N.C3H6O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-1-3-2-5-3;/h4-14H2,1-3H3;3-4H,1-2H2;1H
InChIKeyMGRDWVRAYSMWRK-UHFFFAOYSA-N
XLogP4.27
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N-methyl-N-(oxiran-2-ylmethyl)decan-1-amine;hydrochloride
CID 174337105
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682
N,N-dimethylnonadecan-1-amine
CID 546994
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
CID 160855630
N-methyl-N-(oxiran-2-ylmethyl)tetradecan-1-amine
CID 158488239
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride?
The IUPAC name of N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride (CID 174594174) is N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride?
The canonical SMILES for N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride is CCCCCCCCCCCCN(C)C.Cl.OCC1CO1.
What is the InChIKey of N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride?
The InChIKey is MGRDWVRAYSMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.C3H6O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-1-3-2-5-3;/h4-14H2,1-3H3;3-4H,1-2H2;1H.
What are the key properties of N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride?
N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride has a molecular weight of 323.95 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride is sourced from PubChem (CID 174594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).