2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol

C12H24N2O — CID 79741802

IUPAC2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESNC1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C12H24N2O/c13-10-4-6-11(7-5-10)14-8-9-2-1-3-12(9)15/h9-12,14-15H,1-8,13H2
InChIKeyIGUKKBSQSBYWID-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.01
Rot. Bonds3

About 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol

2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol (PubChem CID 79741802) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
PubChem CID79741802
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
SMILESNC1CCC(NCC2CCCC2O)CC1
InChIInChI=1S/C12H24N2O/c13-10-4-6-11(7-5-10)14-8-9-2-1-3-12(9)15/h9-12,14-15H,1-8,13H2
InChIKeyIGUKKBSQSBYWID-UHFFFAOYSA-N
XLogP1.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol (CID 79741802) is 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol is NC1CCC(NCC2CCCC2O)CC1.
What is the InChIKey of 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is IGUKKBSQSBYWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-10-4-6-11(7-5-10)14-8-9-2-1-3-12(9)15/h9-12,14-15H,1-8,13H2.
What are the key properties of 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol?
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 79741802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).