3-(aminomethyl)-1-cyclopropylhexan-3-ol

C10H21NO — CID 106590571

IUPAC3-(aminomethyl)-1-cyclopropylhexan-3-ol
SMILESCCCC(O)(CN)CCC1CC1
InChIInChI=1S/C10H21NO/c1-2-6-10(12,8-11)7-5-9-3-4-9/h9,12H,2-8,11H2,1H3
InChIKeyXNGJXKFFXCBRKV-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.67
Rot. Bonds6

About 3-(aminomethyl)-1-cyclopropylhexan-3-ol

3-(aminomethyl)-1-cyclopropylhexan-3-ol (PubChem CID 106590571) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-cyclopropylhexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-cyclopropylhexan-3-ol
PubChem CID106590571
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(aminomethyl)-1-cyclopropylhexan-3-ol
SMILESCCCC(O)(CN)CCC1CC1
InChIInChI=1S/C10H21NO/c1-2-6-10(12,8-11)7-5-9-3-4-9/h9,12H,2-8,11H2,1H3
InChIKeyXNGJXKFFXCBRKV-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-1-cyclopropylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-cyclopropylethyl)heptan-4-ol
CID 106590631
17-(aminomethyl)tritriacontan-17-ol
CID 87248679
1-amino-3-(aminomethyl)heptan-3-ol
CID 141174970
[2-ethyl-2-hydroxy-4-[4-(4-pentylcyclohexyl)cyclohexyl]butyl] 2-methylprop-2-enoate
CID 145411469
3-(aminomethyl)-6-(cyclopentylmethylsulfanyl)hexan-3-ol
CID 106811611
(2S)-4-cyclopropyl-2-hydroxy-2-methylbutanamide
CID 89267071
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
2-(2-aminoethyl)pentane-1,2-diol
CID 88986362
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
3-(aminomethyl)-6-[cyclopropyl(ethyl)amino]hexan-3-ol
CID 106811212
3-(aminomethyl)tridecane-1,3-diol
CID 174422631

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-cyclopropylhexan-3-ol?
The IUPAC name of 3-(aminomethyl)-1-cyclopropylhexan-3-ol (CID 106590571) is 3-(aminomethyl)-1-cyclopropylhexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-cyclopropylhexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-cyclopropylhexan-3-ol is CCCC(O)(CN)CCC1CC1.
What is the InChIKey of 3-(aminomethyl)-1-cyclopropylhexan-3-ol?
The InChIKey is XNGJXKFFXCBRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-6-10(12,8-11)7-5-9-3-4-9/h9,12H,2-8,11H2,1H3.
What are the key properties of 3-(aminomethyl)-1-cyclopropylhexan-3-ol?
3-(aminomethyl)-1-cyclopropylhexan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-cyclopropylhexan-3-ol is sourced from PubChem (CID 106590571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).