propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate

C9H18N2O2 — CID 63765601

IUPACpropan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
SMILESCC(C)OC(=O)NCC(N)C1CC1
InChIInChI=1S/C9H18N2O2/c1-6(2)13-9(12)11-5-8(10)7-3-4-7/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyNVJGLQVKXFQARL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.86
Rot. Bonds4

About propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate

propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate (PubChem CID 63765601) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
PubChem CID63765601
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namepropan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate
SMILESCC(C)OC(=O)NCC(N)C1CC1
InChIInChI=1S/C9H18N2O2/c1-6(2)13-9(12)11-5-8(10)7-3-4-7/h6-8H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyNVJGLQVKXFQARL-UHFFFAOYSA-N
XLogP0.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 113282148
propan-2-yl N-(2-cyclopropylethyl)carbamate
CID 116656480
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
N-(2-amino-2-cyclopropylethyl)hexa-2,4-dienamide
CID 115301151
propan-2-yl N-(4-hydroxy-2-methylbutyl)carbamate
CID 66106917
propan-2-yl N-[(1-formylcyclopropyl)methyl]carbamate
CID 123801735
N-(2-amino-2-cyclopropylethyl)-2-(2-methylphenyl)acetamide
CID 63765173
N-(2-amino-2-cyclopropylethyl)piperidine-1-carboxamide
CID 79154956
propan-2-yl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 116655183
3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate?
The IUPAC name of propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate (CID 63765601) is propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate.
What is the SMILES notation for propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate?
The canonical SMILES for propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate is CC(C)OC(=O)NCC(N)C1CC1.
What is the InChIKey of propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate?
The InChIKey is NVJGLQVKXFQARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)13-9(12)11-5-8(10)7-3-4-7/h6-8H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate?
propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(2-amino-2-cyclopropylethyl)carbamate is sourced from PubChem (CID 63765601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).