N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium

C17H40NO2+ — CID 172685114

IUPACN,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium
SMILESCCCCCCCCCCCCN(C)C.OCCC[OH2+]
InChIInChI=1S/C14H31N.C3H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-2-1-3-5/h4-14H2,1-3H3;4-5H,1-3H2/p+1
InChIKeyINDRISTWROQVRB-UHFFFAOYSA-O
MW290.51 g/mol
LogP3.56
Rot. Bonds13

About N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium

N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium (PubChem CID 172685114) has the molecular formula C17H40NO2+ and a molecular weight of 290.51 g/mol. Its IUPAC name is N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium.

Molecular Properties

Compound NameN,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium
PubChem CID172685114
Molecular FormulaC17H40NO2+
Molecular Weight290.51 g/mol
Exact Mass290.31
IUPAC NameN,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium
SMILESCCCCCCCCCCCCN(C)C.OCCC[OH2+]
InChIInChI=1S/C14H31N.C3H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-2-1-3-5/h4-14H2,1-3H3;4-5H,1-3H2/p+1
InChIKeyINDRISTWROQVRB-UHFFFAOYSA-O
XLogP3.56
TPSA46.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dimethyldodecan-1-amine;hexane-1,6-diol;dihydrochloride
CID 158316231
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
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
azane;N,N-dimethyltetradecan-1-amine
CID 175798772
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium?
The IUPAC name of N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium (CID 172685114) is N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium.
What is the SMILES notation for N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium?
The canonical SMILES for N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium is CCCCCCCCCCCCN(C)C.OCCC[OH2+].
What is the InChIKey of N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium?
The InChIKey is INDRISTWROQVRB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H31N.C3H8O2/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;4-2-1-3-5/h4-14H2,1-3H3;4-5H,1-3H2/p+1.
What are the key properties of N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium?
N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium has a molecular weight of 290.51 g/mol, XLogP of 3.56, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyldodecan-1-amine;3-hydroxypropyloxidanium is sourced from PubChem (CID 172685114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).