4-(1-aminopropyl)cyclohexan-1-ol

C9H19NO — CID 116941798

IUPAC4-(1-aminopropyl)cyclohexan-1-ol
SMILESCCC(N)C1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7-9,11H,2-6,10H2,1H3
InChIKeyAUMZTQKMWWSBKA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.27
Rot. Bonds2

About 4-(1-aminopropyl)cyclohexan-1-ol

4-(1-aminopropyl)cyclohexan-1-ol (PubChem CID 116941798) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(1-aminopropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1-aminopropyl)cyclohexan-1-ol
PubChem CID116941798
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(1-aminopropyl)cyclohexan-1-ol
SMILESCCC(N)C1CCC(O)CC1
InChIInChI=1S/C9H19NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7-9,11H,2-6,10H2,1H3
InChIKeyAUMZTQKMWWSBKA-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-cyclohexylpropan-1-ol
CID 444569
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
2-Amino-3-cyclohexylpropan-1-ol
CID 4068950
(2R,3S)-2-amino-11-methyldodecan-3-ol
CID 44127631
2-Amino-1-cyclohexyl-ethanol hydrochloride
CID 49861475
4-(2-Aminoethyl)cyclohexan-1-ol
CID 17773621
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
(2S)-2-amino-3-cyclohexylpropan-1-ol hydrochloride
CID 16212813
(3S,4S,5R)-4-amino-3-methyltetradecan-5-ol
CID 118735810
(1R)-2-amino-1-cyclohexylethan-1-ol
CID 14178860
(R)-2-Amino-3-cyclohexylpropan-1-ol
CID 40432407
(1S)-2-amino-1-cyclohexylethan-1-ol
CID 51652315

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropyl)cyclohexan-1-ol?
The IUPAC name of 4-(1-aminopropyl)cyclohexan-1-ol (CID 116941798) is 4-(1-aminopropyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(1-aminopropyl)cyclohexan-1-ol?
The canonical SMILES for 4-(1-aminopropyl)cyclohexan-1-ol is CCC(N)C1CCC(O)CC1.
What is the InChIKey of 4-(1-aminopropyl)cyclohexan-1-ol?
The InChIKey is AUMZTQKMWWSBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-9(10)7-3-5-8(11)6-4-7/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 4-(1-aminopropyl)cyclohexan-1-ol?
4-(1-aminopropyl)cyclohexan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropyl)cyclohexan-1-ol is sourced from PubChem (CID 116941798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).