3-cyclohexylpropylcarbamic acid

C10H19NO2 — CID 54479876

IUPAC3-cyclohexylpropylcarbamic acid
SMILESO=C(O)NCCCC1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)11-8-4-7-9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13)
InChIKeyDEKHSJKDVSXHBX-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.61
Rot. Bonds4

About 3-cyclohexylpropylcarbamic acid

3-cyclohexylpropylcarbamic acid (PubChem CID 54479876) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-cyclohexylpropylcarbamic acid.

Molecular Properties

Compound Name3-cyclohexylpropylcarbamic acid
PubChem CID54479876
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-cyclohexylpropylcarbamic acid
SMILESO=C(O)NCCCC1CCCCC1
InChIInChI=1S/C10H19NO2/c12-10(13)11-8-4-7-9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13)
InChIKeyDEKHSJKDVSXHBX-UHFFFAOYSA-N
XLogP2.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclohexylpropylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
N-(3-cyclohexylpropyl)prop-2-enamide
CID 59687537
(2R,5S)-5-(3-cyclopentylpropylcarbamoyl)oxolane-2-carboxylic acid
CID 106003701
4-(3-cyclopentylpropylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 114136263
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
1-cyclohexyl-3-(3-cyclopentylpropyl)-1-methylurea
CID 78892469
cis-(1S,3R)-3-(3-cyclopentylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114136262
2-[[2-(3-cyclopentylpropylcarbamoylamino)acetyl]amino]acetic acid
CID 106005063
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylpropylcarbamic acid?
The IUPAC name of 3-cyclohexylpropylcarbamic acid (CID 54479876) is 3-cyclohexylpropylcarbamic acid.
What is the SMILES notation for 3-cyclohexylpropylcarbamic acid?
The canonical SMILES for 3-cyclohexylpropylcarbamic acid is O=C(O)NCCCC1CCCCC1.
What is the InChIKey of 3-cyclohexylpropylcarbamic acid?
The InChIKey is DEKHSJKDVSXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c12-10(13)11-8-4-7-9-5-2-1-3-6-9/h9,11H,1-8H2,(H,12,13).
What are the key properties of 3-cyclohexylpropylcarbamic acid?
3-cyclohexylpropylcarbamic acid has a molecular weight of 185.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylpropylcarbamic acid is sourced from PubChem (CID 54479876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).