2-methylpropyl N-(1-cyanopropyl)carbamate

C9H16N2O2 — CID 61124599

IUPAC2-methylpropyl N-(1-cyanopropyl)carbamate
SMILESCCC(C#N)NC(=O)OCC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-8(5-10)11-9(12)13-6-7(2)3/h7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyLPNFFYFJHUSDKY-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.67
Rot. Bonds4

About 2-methylpropyl N-(1-cyanopropyl)carbamate

2-methylpropyl N-(1-cyanopropyl)carbamate (PubChem CID 61124599) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methylpropyl N-(1-cyanopropyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1-cyanopropyl)carbamate
PubChem CID61124599
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-methylpropyl N-(1-cyanopropyl)carbamate
SMILESCCC(C#N)NC(=O)OCC(C)C
InChIInChI=1S/C9H16N2O2/c1-4-8(5-10)11-9(12)13-6-7(2)3/h7-8H,4,6H2,1-3H3,(H,11,12)
InChIKeyLPNFFYFJHUSDKY-UHFFFAOYSA-N
XLogP1.67
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
CID 3115351
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
benzyl N-[(1S)-1-cyanopropyl]carbamate
CID 156781711
2-cyano-N-[(1S)-1-cyanopropyl]propanamide
CID 131154745
2-methylpropyl N-[(5S)-2,5-dimethyl-3-oxoheptan-4-yl]carbamate
CID 58715292
2-methylpropyl 2-cyanopropanoate
CID 53424522
3-(1-cyanopropyl)-1,1-dimethylurea
CID 79154403
2-methylpropyl N-ethylsulfanylcarbamate
CID 175564979
2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-ethoxycarbamate
CID 115575426
2-methylbutyl N-propan-2-ylcarbamate
CID 89228624
methyl 3-hydroxy-2-(2-methylpropoxycarbonylamino)propanoate
CID 43407128

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1-cyanopropyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1-cyanopropyl)carbamate (CID 61124599) is 2-methylpropyl N-(1-cyanopropyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1-cyanopropyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1-cyanopropyl)carbamate is CCC(C#N)NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(1-cyanopropyl)carbamate?
The InChIKey is LPNFFYFJHUSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8(5-10)11-9(12)13-6-7(2)3/h7-8H,4,6H2,1-3H3,(H,11,12).
What are the key properties of 2-methylpropyl N-(1-cyanopropyl)carbamate?
2-methylpropyl N-(1-cyanopropyl)carbamate has a molecular weight of 184.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1-cyanopropyl)carbamate is sourced from PubChem (CID 61124599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).