3,4-diaminocyclohexan-1-ol

C6H14N2O — CID 3081668

IUPAC3,4-diaminocyclohexan-1-ol
SMILESNC1CCC(O)CC1N
InChIInChI=1S/C6H14N2O/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,7-8H2
InChIKeyBZGBKNAGHAETKC-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.81
Rot. Bonds

About 3,4-diaminocyclohexan-1-ol

3,4-diaminocyclohexan-1-ol (PubChem CID 3081668) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3,4-diaminocyclohexan-1-ol.

Molecular Properties

Compound Name3,4-diaminocyclohexan-1-ol
PubChem CID3081668
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3,4-diaminocyclohexan-1-ol
SMILESNC1CCC(O)CC1N
InChIInChI=1S/C6H14N2O/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,7-8H2
InChIKeyBZGBKNAGHAETKC-UHFFFAOYSA-N
XLogP-0.81
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-diaminocyclohexan-1-ol?
The IUPAC name of 3,4-diaminocyclohexan-1-ol (CID 3081668) is 3,4-diaminocyclohexan-1-ol.
What is the SMILES notation for 3,4-diaminocyclohexan-1-ol?
The canonical SMILES for 3,4-diaminocyclohexan-1-ol is NC1CCC(O)CC1N.
What is the InChIKey of 3,4-diaminocyclohexan-1-ol?
The InChIKey is BZGBKNAGHAETKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,7-8H2.
What are the key properties of 3,4-diaminocyclohexan-1-ol?
3,4-diaminocyclohexan-1-ol has a molecular weight of 130.19 g/mol, XLogP of -0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diaminocyclohexan-1-ol is sourced from PubChem (CID 3081668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).