benzyl N-(3-amino-2,2-dimethylpropyl)carbamate

C13H20N2O2 — CID 5001228

IUPACbenzyl N-(3-amino-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CN)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,9-14)10-15-12(16)17-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyBREMQJGDPINLKN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds5

About benzyl N-(3-amino-2,2-dimethylpropyl)carbamate

benzyl N-(3-amino-2,2-dimethylpropyl)carbamate (PubChem CID 5001228) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is benzyl N-(3-amino-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-amino-2,2-dimethylpropyl)carbamate
PubChem CID5001228
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namebenzyl N-(3-amino-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CN)CNC(=O)OCc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,9-14)10-15-12(16)17-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16)
InChIKeyBREMQJGDPINLKN-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-[2-[3-(aminomethyl)phenyl]-2-methylpropyl]carbamate
CID 90916438
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(3,3,3-trifluoro-2-formyl-2-methylpropyl)carbamate
CID 10913233
benzyl (2R)-2-[(2-methylpropan-2-yl)oxy]-3-(phenylmethoxycarbonylamino)propanoate
CID 153440550

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The IUPAC name of benzyl N-(3-amino-2,2-dimethylpropyl)carbamate (CID 5001228) is benzyl N-(3-amino-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for benzyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The canonical SMILES for benzyl N-(3-amino-2,2-dimethylpropyl)carbamate is CC(C)(CN)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The InChIKey is BREMQJGDPINLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,9-14)10-15-12(16)17-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16).
What are the key properties of benzyl N-(3-amino-2,2-dimethylpropyl)carbamate?
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-amino-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 5001228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).