4-amino-1-(aminomethyl)cyclohexan-1-ol

C7H16N2O — CID 105428674

IUPAC4-amino-1-(aminomethyl)cyclohexan-1-ol
SMILESNCC1(O)CCC(N)CC1
InChIInChI=1S/C7H16N2O/c8-5-7(10)3-1-6(9)2-4-7/h6,10H,1-5,8-9H2
InChIKeyAQFRKVGMARLEEA-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.42
Rot. Bonds1

About 4-amino-1-(aminomethyl)cyclohexan-1-ol

4-amino-1-(aminomethyl)cyclohexan-1-ol (PubChem CID 105428674) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-amino-1-(aminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(aminomethyl)cyclohexan-1-ol
PubChem CID105428674
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-amino-1-(aminomethyl)cyclohexan-1-ol
SMILESNCC1(O)CCC(N)CC1
InChIInChI=1S/C7H16N2O/c8-5-7(10)3-1-6(9)2-4-7/h6,10H,1-5,8-9H2
InChIKeyAQFRKVGMARLEEA-UHFFFAOYSA-N
XLogP-0.42
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(cyclopropylamino)methyl]cyclohexan-1-ol
CID 105441357
1-(aminomethyl)-4-methylsulfonylcyclohexan-1-ol;hydrochloride
CID 146279083
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
4-amino-1-(4-methylpentyl)cyclohexan-1-ol
CID 83157525
methyl 4-(aminomethyl)-4-hydroxycyclohexane-1-carboxylate;hydrochloride
CID 75537501
4-amino-1-(2-methylprop-1-enyl)cyclohexan-1-ol
CID 79177327
4-(aminomethyl)-N-(cyclopentylmethyl)-4-hydroxy-N-methylcyclohexane-1-carboxamide
CID 115151536
3-amino-1-(azetidin-1-ylmethyl)cyclopentan-1-ol
CID 105434590
1-(aminomethyl)-4-[methyl(pentyl)amino]cyclohexan-1-ol
CID 117039414
1-(aminomethyl)-4-fluoro-4-methylcyclohexan-1-ol
CID 121427173
2-(aminomethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ol
CID 83905171
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(aminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(aminomethyl)cyclohexan-1-ol (CID 105428674) is 4-amino-1-(aminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(aminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(aminomethyl)cyclohexan-1-ol is NCC1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(aminomethyl)cyclohexan-1-ol?
The InChIKey is AQFRKVGMARLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c8-5-7(10)3-1-6(9)2-4-7/h6,10H,1-5,8-9H2.
What are the key properties of 4-amino-1-(aminomethyl)cyclohexan-1-ol?
4-amino-1-(aminomethyl)cyclohexan-1-ol has a molecular weight of 144.22 g/mol, XLogP of -0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(aminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 105428674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).