[2-(benzylamino)-3,3-dimethylbutyl] carbamate

C14H22N2O2 — CID 91176107

IUPAC[2-(benzylamino)-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12(10-18-13(15)17)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyZCZPVVIMVGCQLF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.29
Rot. Bonds5

About [2-(benzylamino)-3,3-dimethylbutyl] carbamate

[2-(benzylamino)-3,3-dimethylbutyl] carbamate (PubChem CID 91176107) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is [2-(benzylamino)-3,3-dimethylbutyl] carbamate.

Molecular Properties

Compound Name[2-(benzylamino)-3,3-dimethylbutyl] carbamate
PubChem CID91176107
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name[2-(benzylamino)-3,3-dimethylbutyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)NCc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)12(10-18-13(15)17)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17)
InChIKeyZCZPVVIMVGCQLF-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzylamino)-3,3-dimethylbutan-1-ol
CID 54563298
N-benzyl-2,2-dimethylpentan-3-amine
CID 11206526
3-(benzylamino)-4,4-dimethylpentan-1-ol
CID 103949930
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
2-(benzylamino)-4,4-dimethylpentanamide
CID 62949870
dimethyl 2-(benzylamino)propanedioate
CID 562185
(2-benzyl-3-methylbutyl) carbamate
CID 67758924
[(2S)-2-(methylamino)-3-phenylpropyl] carbamate
CID 118340486
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
CID 56777091
[2-[[3-(benzylamino)-4-(cyclohexylamino)phenyl]sulfonylamino]-3,3-dimethylbutyl] carbamate
CID 175075346
[1-(benzylamino)-2,2-dimethylpropyl]phosphonic acid
CID 130623996
(2S)-2-(benzylamino)butanamide
CID 131998527

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-3,3-dimethylbutyl] carbamate?
The IUPAC name of [2-(benzylamino)-3,3-dimethylbutyl] carbamate (CID 91176107) is [2-(benzylamino)-3,3-dimethylbutyl] carbamate.
What is the SMILES notation for [2-(benzylamino)-3,3-dimethylbutyl] carbamate?
The canonical SMILES for [2-(benzylamino)-3,3-dimethylbutyl] carbamate is CC(C)(C)C(COC(N)=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-3,3-dimethylbutyl] carbamate?
The InChIKey is ZCZPVVIMVGCQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)12(10-18-13(15)17)16-9-11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H2,15,17).
What are the key properties of [2-(benzylamino)-3,3-dimethylbutyl] carbamate?
[2-(benzylamino)-3,3-dimethylbutyl] carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-3,3-dimethylbutyl] carbamate is sourced from PubChem (CID 91176107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).