4-(3-aminopropyl)cyclohexane-1-carboxylic acid

C10H19NO2 — CID 126844543

IUPAC4-(3-aminopropyl)cyclohexane-1-carboxylic acid
SMILESNCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h8-9H,1-7,11H2,(H,12,13)
InChIKeyABIQIMKQDXTCOE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.62
Rot. Bonds4

About 4-(3-aminopropyl)cyclohexane-1-carboxylic acid

4-(3-aminopropyl)cyclohexane-1-carboxylic acid (PubChem CID 126844543) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-aminopropyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopropyl)cyclohexane-1-carboxylic acid
PubChem CID126844543
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(3-aminopropyl)cyclohexane-1-carboxylic acid
SMILESNCCCC1CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h8-9H,1-7,11H2,(H,12,13)
InChIKeyABIQIMKQDXTCOE-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-heptylcyclohexane-1-carboxylic acid;hydrochloride
CID 70374677
cyclopropanecarboxylic acid;decan-1-amine
CID 157428816
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
4-(cyclopropylmethyl)cyclohexane-1-carboxylic acid
CID 126845693
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
3-(4-fluorocyclohexyl)propan-1-amine
CID 84731480
trans-(1R,3R)-3-(4,4-dimethylpentyl)cyclopentane-1-carboxylic acid
CID 71036933
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
4-propylcyclononane-1-carboxylic acid
CID 123911377

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(3-aminopropyl)cyclohexane-1-carboxylic acid (CID 126844543) is 4-(3-aminopropyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(3-aminopropyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(3-aminopropyl)cyclohexane-1-carboxylic acid is NCCCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(3-aminopropyl)cyclohexane-1-carboxylic acid?
The InChIKey is ABIQIMKQDXTCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h8-9H,1-7,11H2,(H,12,13).
What are the key properties of 4-(3-aminopropyl)cyclohexane-1-carboxylic acid?
4-(3-aminopropyl)cyclohexane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 126844543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).