4-(aminomethyl)-2,3,4-trimethylhexan-3-ol

C10H23NO — CID 79127301

IUPAC4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
SMILESCCC(C)(CN)C(C)(O)C(C)C
InChIInChI=1S/C10H23NO/c1-6-9(4,7-11)10(5,12)8(2)3/h8,12H,6-7,11H2,1-5H3
InChIKeyMROWAAATDJMEHX-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.77
Rot. Bonds4

About 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol

4-(aminomethyl)-2,3,4-trimethylhexan-3-ol (PubChem CID 79127301) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
PubChem CID79127301
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
SMILESCCC(C)(CN)C(C)(O)C(C)C
InChIInChI=1S/C10H23NO/c1-6-9(4,7-11)10(5,12)8(2)3/h8,12H,6-7,11H2,1-5H3
InChIKeyMROWAAATDJMEHX-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2,2-difluoro-3,4-dimethylpentan-3-ol
CID 105433377
3-(aminomethyl)-3,4-dimethylheptan-4-ol
CID 80560039
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
3-ethyl-2,4-dimethylpentane-2,3-diol
CID 23384901
3-(aminomethyl)-2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79126815
2-ethyl-2-fluoro-3-methylbutan-1-amine
CID 112565881
3-ethyl-2,3-dimethylpentan-2-ol
CID 53428948
4-(aminomethyl)-3-ethyl-2-methylhexan-3-ol
CID 79134647
2,5,5-trimethyl-3-propan-2-ylheptan-3-ol
CID 156689537
1-amino-2-methylbutan-2-ol;hydrochloride
CID 87715344
ethanol;2,3,4-trimethylpentan-3-amine
CID 175160017
1-aminobutane-2,2-diol
CID 158169246

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol (CID 79127301) is 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol is CCC(C)(CN)C(C)(O)C(C)C.
What is the InChIKey of 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol?
The InChIKey is MROWAAATDJMEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-6-9(4,7-11)10(5,12)8(2)3/h8,12H,6-7,11H2,1-5H3.
What are the key properties of 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol?
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol has a molecular weight of 173.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2,3,4-trimethylhexan-3-ol is sourced from PubChem (CID 79127301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).