2-(3-aminopropyl)cyclohexan-1-ol

C9H19NO — CID 23008729

IUPAC2-(3-aminopropyl)cyclohexan-1-ol
SMILESNCCCC1CCCCC1O
InChIInChI=1S/C9H19NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8-9,11H,1-7,10H2
InChIKeyBJYNTHACALEJGC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-aminopropyl)cyclohexan-1-ol

2-(3-aminopropyl)cyclohexan-1-ol (PubChem CID 23008729) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(3-aminopropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)cyclohexan-1-ol
PubChem CID23008729
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(3-aminopropyl)cyclohexan-1-ol
SMILESNCCCC1CCCCC1O
InChIInChI=1S/C9H19NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8-9,11H,1-7,10H2
InChIKeyBJYNTHACALEJGC-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)cyclohexan-1-ol?
The IUPAC name of 2-(3-aminopropyl)cyclohexan-1-ol (CID 23008729) is 2-(3-aminopropyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(3-aminopropyl)cyclohexan-1-ol?
The canonical SMILES for 2-(3-aminopropyl)cyclohexan-1-ol is NCCCC1CCCCC1O.
What is the InChIKey of 2-(3-aminopropyl)cyclohexan-1-ol?
The InChIKey is BJYNTHACALEJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8-9,11H,1-7,10H2.
What are the key properties of 2-(3-aminopropyl)cyclohexan-1-ol?
2-(3-aminopropyl)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)cyclohexan-1-ol is sourced from PubChem (CID 23008729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).