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

C8H18N2O2 — CID 79006290

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

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

ethyl N-(3-amino-2,2-dimethylpropyl)carbamate (PubChem CID 79006290) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl N-(3-amino-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-amino-2,2-dimethylpropyl)carbamate
PubChem CID79006290
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethyl N-(3-amino-2,2-dimethylpropyl)carbamate
SMILESCCOC(=O)NCC(C)(C)CN
InChIInChI=1S/C8H18N2O2/c1-4-12-7(11)10-6-8(2,3)5-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyGSVMBVPYYUSHIK-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

ethyl N-[3-(ethoxycarbonylamino)-2,2-bis[(ethoxycarbonylamino)methyl]propyl]carbamate
CID 87374449
ethyl N-(2,2-dimethylpent-4-enyl)carbamate
CID 10559434
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
ethyl N-(4-chloro-2,2-dimethyl-3-oxobutyl)carbamate
CID 104701774
azane;ethyl N-ethylcarbamate
CID 88547448
ethyl N-(2-chloro-3,3-dimethylbutyl)carbamate
CID 15577177
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
methyl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141188
methyl N-[3-(methoxycarbonylamino)-2,2-dimethylpropyl]carbamate
CID 2165580
2,2,2-trifluoroethyl N-(2,2-dimethylbutyl)carbamate
CID 103465110

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The IUPAC name of ethyl N-(3-amino-2,2-dimethylpropyl)carbamate (CID 79006290) is ethyl N-(3-amino-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for ethyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The canonical SMILES for ethyl N-(3-amino-2,2-dimethylpropyl)carbamate is CCOC(=O)NCC(C)(C)CN.
What is the InChIKey of ethyl N-(3-amino-2,2-dimethylpropyl)carbamate?
The InChIKey is GSVMBVPYYUSHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-12-7(11)10-6-8(2,3)5-9/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of ethyl N-(3-amino-2,2-dimethylpropyl)carbamate?
ethyl N-(3-amino-2,2-dimethylpropyl)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 ethyl N-(3-amino-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 79006290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).