3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol

C13H30N2O — CID 106811265

IUPAC3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(16,10-14)8-7-9-15(5)11-12(2,3)4/h16H,6-11,14H2,1-5H3
InChIKeyNYECWHGVVRLKHV-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds7

About 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol

3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol (PubChem CID 106811265) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
PubChem CID106811265
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol
SMILESCCC(O)(CN)CCCN(C)CC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(16,10-14)8-7-9-15(5)11-12(2,3)4/h16H,6-11,14H2,1-5H3
InChIKeyNYECWHGVVRLKHV-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-6-[2-methoxyethyl(methyl)amino]hexan-3-ol
CID 106811269
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
N'-butyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62263205
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
3-(aminomethyl)-6-[ethyl(2-methoxyethyl)amino]hexan-3-ol
CID 106811257
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
CID 106811400
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
3-[[methyl(propyl)amino]methyl]pentan-3-ol
CID 115927293
N',2,2-trimethyl-N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115514950

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol (CID 106811265) is 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol is CCC(O)(CN)CCCN(C)CC(C)(C)C.
What is the InChIKey of 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol?
The InChIKey is NYECWHGVVRLKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-13(16,10-14)8-7-9-15(5)11-12(2,3)4/h16H,6-11,14H2,1-5H3.
What are the key properties of 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol?
3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-[2,2-dimethylpropyl(methyl)amino]hexan-3-ol is sourced from PubChem (CID 106811265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).