propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate

C11H24N2O2 — CID 106250964

IUPACpropan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
SMILESCCC(CC)(CN)CNC(=O)OC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,7-12)8-13-10(14)15-9(3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyYRWKGMBGSGOXAB-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.89
Rot. Bonds6

About propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate

propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate (PubChem CID 106250964) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
PubChem CID106250964
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Namepropan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
SMILESCCC(CC)(CN)CNC(=O)OC(C)C
InChIInChI=1S/C11H24N2O2/c1-5-11(6-2,7-12)8-13-10(14)15-9(3)4/h9H,5-8,12H2,1-4H3,(H,13,14)
InChIKeyYRWKGMBGSGOXAB-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
N-[2-(aminomethyl)-2-ethylbutyl]propanamide
CID 106250084
N-[2-(aminomethyl)-2-ethylbutyl]-4-methoxypentanamide
CID 106250717
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 66174218
propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
N-[2-(aminomethyl)-2-ethylbutyl]-3,3-dimethylbutanamide
CID 106250638
N-[2-(aminomethyl)-2-ethylbutyl]-2-methoxy-2-methylbutanamide
CID 114164008
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
N-[2-(aminomethyl)-2-ethylbutyl]hexanamide
CID 106250199
propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
CID 89000381
ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate (CID 106250964) is propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate is CCC(CC)(CN)CNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate?
The InChIKey is YRWKGMBGSGOXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-5-11(6-2,7-12)8-13-10(14)15-9(3)4/h9H,5-8,12H2,1-4H3,(H,13,14).
What are the key properties of propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate?
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.89, 6 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-(aminomethyl)-2-ethylbutyl]carbamate is sourced from PubChem (CID 106250964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).