(decan-5-ylamino)carbamic acid

C11H24N2O2 — CID 174628404

IUPAC(decan-5-ylamino)carbamic acid
SMILESCCCCCC(CCCC)NNC(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-5-7-9-10(8-6-4-2)12-13-11(14)15/h10,12-13H,3-9H2,1-2H3,(H,14,15)
InChIKeySCMXCRLGVAYCLB-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.90
Rot. Bonds9

About (decan-5-ylamino)carbamic acid

(decan-5-ylamino)carbamic acid (PubChem CID 174628404) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (decan-5-ylamino)carbamic acid.

Molecular Properties

Compound Name(decan-5-ylamino)carbamic acid
PubChem CID174628404
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(decan-5-ylamino)carbamic acid
SMILESCCCCCC(CCCC)NNC(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-5-7-9-10(8-6-4-2)12-13-11(14)15/h10,12-13H,3-9H2,1-2H3,(H,14,15)
InChIKeySCMXCRLGVAYCLB-UHFFFAOYSA-N
XLogP2.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (decan-5-ylamino)carbamic 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

(2R)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632402
(2S)-2-(2-carboxyhydrazinyl)hexanoic acid
CID 124632401
tetracosan-7-ylcarbamic acid
CID 174971308
N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
(2S)-2-butyldecanoic acid
CID 98176194
N-tridecan-5-ylprop-2-enamide
CID 141277245
(3-butyl-2-oxooctyl)carbamic acid
CID 126513062
3-(propylamino)octanoic acid
CID 65236030
2-(heptadecan-3-ylamino)acetic acid
CID 19902938
(2-ethylhexylamino)carbamic acid
CID 151602670
(3S)-3-acetamidononanoic acid
CID 2195186
1-aminohexylcarbamic acid
CID 19696912

Frequently Asked Questions

What is the IUPAC name of (decan-5-ylamino)carbamic acid?
The IUPAC name of (decan-5-ylamino)carbamic acid (CID 174628404) is (decan-5-ylamino)carbamic acid.
What is the SMILES notation for (decan-5-ylamino)carbamic acid?
The canonical SMILES for (decan-5-ylamino)carbamic acid is CCCCCC(CCCC)NNC(=O)O.
What is the InChIKey of (decan-5-ylamino)carbamic acid?
The InChIKey is SCMXCRLGVAYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-7-9-10(8-6-4-2)12-13-11(14)15/h10,12-13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of (decan-5-ylamino)carbamic acid?
(decan-5-ylamino)carbamic acid has a molecular weight of 216.32 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (decan-5-ylamino)carbamic acid is sourced from PubChem (CID 174628404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).