methyl N-(4-amino-2,2-dimethylbutyl)carbamate

C8H18N2O2 — CID 106141188

IUPACmethyl N-(4-amino-2,2-dimethylbutyl)carbamate
SMILESCOC(=O)NCC(C)(C)CCN
InChIInChI=1S/C8H18N2O2/c1-8(2,4-5-9)6-10-7(11)12-3/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyOGPYBJAVULBTQZ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.72
Rot. Bonds4

About methyl N-(4-amino-2,2-dimethylbutyl)carbamate

methyl N-(4-amino-2,2-dimethylbutyl)carbamate (PubChem CID 106141188) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl N-(4-amino-2,2-dimethylbutyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-amino-2,2-dimethylbutyl)carbamate
PubChem CID106141188
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl N-(4-amino-2,2-dimethylbutyl)carbamate
SMILESCOC(=O)NCC(C)(C)CCN
InChIInChI=1S/C8H18N2O2/c1-8(2,4-5-9)6-10-7(11)12-3/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyOGPYBJAVULBTQZ-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
methyl N-[2,2-dimethyl-3-(methylamino)propyl]carbamate
CID 115267316
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
N-(4-amino-2,2-dimethylbutyl)-4-methoxypentanamide
CID 106140134
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447
methyl N-(2,2-difluoropropyl)carbamate
CID 90076527
ethyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 79006290
N-(2-aminoethyl)-N'-(4-methoxy-2,2-dimethylbutyl)oxamide
CID 114124548
N-(4-amino-2,2-dimethylbutyl)-3-methyl-2-propan-2-ylbutanamide
CID 114282359
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-amino-2,2-dimethylbutyl)carbamate?
The IUPAC name of methyl N-(4-amino-2,2-dimethylbutyl)carbamate (CID 106141188) is methyl N-(4-amino-2,2-dimethylbutyl)carbamate.
What is the SMILES notation for methyl N-(4-amino-2,2-dimethylbutyl)carbamate?
The canonical SMILES for methyl N-(4-amino-2,2-dimethylbutyl)carbamate is COC(=O)NCC(C)(C)CCN.
What is the InChIKey of methyl N-(4-amino-2,2-dimethylbutyl)carbamate?
The InChIKey is OGPYBJAVULBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,4-5-9)6-10-7(11)12-3/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of methyl N-(4-amino-2,2-dimethylbutyl)carbamate?
methyl N-(4-amino-2,2-dimethylbutyl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-amino-2,2-dimethylbutyl)carbamate is sourced from PubChem (CID 106141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).