(pentylamino) N-prop-2-enylcarbamate

C9H18N2O2 — CID 87530951

IUPAC(pentylamino) N-prop-2-enylcarbamate
SMILESC=CCNC(=O)ONCCCCC
InChIInChI=1S/C9H18N2O2/c1-3-5-6-8-11-13-9(12)10-7-4-2/h4,11H,2-3,5-8H2,1H3,(H,10,12)
InChIKeyVVCGRGZEDOSUQP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.59
Rot. Bonds7

About (pentylamino) N-prop-2-enylcarbamate

(pentylamino) N-prop-2-enylcarbamate (PubChem CID 87530951) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (pentylamino) N-prop-2-enylcarbamate.

Molecular Properties

Compound Name(pentylamino) N-prop-2-enylcarbamate
PubChem CID87530951
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(pentylamino) N-prop-2-enylcarbamate
SMILESC=CCNC(=O)ONCCCCC
InChIInChI=1S/C9H18N2O2/c1-3-5-6-8-11-13-9(12)10-7-4-2/h4,11H,2-3,5-8H2,1H3,(H,10,12)
InChIKeyVVCGRGZEDOSUQP-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (pentylamino) N-prop-2-enylcarbamate 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

heptyl N-prop-2-enylcarbamate
CID 123482137
(pentylamino) acetate
CID 87721742
N-prop-2-enyloctanamide
CID 4071942
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
1-pentyl-3-prop-2-enyl-1-sulfanylurea
CID 88764392
(dodecylamino) octanoate
CID 175102615
(hexylamino) octanoate
CID 174754807
calcium;hydride;(octadecylamino) acetate
CID 174640254
(nonylamino) butanoate
CID 167224180
N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
CID 158116077
N-prop-2-enyltridecan-1-amine
CID 22467882
butylamino 2-methylprop-2-enoate;silver
CID 175085641

Frequently Asked Questions

What is the IUPAC name of (pentylamino) N-prop-2-enylcarbamate?
The IUPAC name of (pentylamino) N-prop-2-enylcarbamate (CID 87530951) is (pentylamino) N-prop-2-enylcarbamate.
What is the SMILES notation for (pentylamino) N-prop-2-enylcarbamate?
The canonical SMILES for (pentylamino) N-prop-2-enylcarbamate is C=CCNC(=O)ONCCCCC.
What is the InChIKey of (pentylamino) N-prop-2-enylcarbamate?
The InChIKey is VVCGRGZEDOSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-5-6-8-11-13-9(12)10-7-4-2/h4,11H,2-3,5-8H2,1H3,(H,10,12).
What are the key properties of (pentylamino) N-prop-2-enylcarbamate?
(pentylamino) N-prop-2-enylcarbamate has a molecular weight of 186.25 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino) N-prop-2-enylcarbamate is sourced from PubChem (CID 87530951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).