tert-butyl-[2-(methylamino)ethyl]carbamic acid

C8H18N2O2 — CID 19868746

IUPACtert-butyl-[2-(methylamino)ethyl]carbamic acid
SMILESCNCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyVOAVHNKTNZQOFQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.98
Rot. Bonds3

About tert-butyl-[2-(methylamino)ethyl]carbamic acid

tert-butyl-[2-(methylamino)ethyl]carbamic acid (PubChem CID 19868746) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl-[2-(methylamino)ethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(methylamino)ethyl]carbamic acid
PubChem CID19868746
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl-[2-(methylamino)ethyl]carbamic acid
SMILESCNCCN(C(=O)O)C(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12)
InChIKeyVOAVHNKTNZQOFQ-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[2-(methylamino)ethyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl-[2-(2,2,2-trifluoroethylamino)ethyl]carbamic acid
CID 87189265
[(2R)-3-amino-1,1,1-trifluoropropan-2-yl]-tert-butylcarbamic acid
CID 89537806
(3-Amino-1,1,1-trifluoropropan-2-yl)-tert-butylcarbamic acid
CID 89537807
(2-Amino-3,3,3-trifluoro-2-methylpropyl)-tert-butylcarbamic acid
CID 117858257
diethylcarbamic acid;N-ethylethanamine
CID 14597070
2-Aminoethyl-carboxy-diethylazanium
CID 134927556
di(propan-2-yl)carbamic acid;N-propan-2-ylpropan-2-amine
CID 14741619
(2-Amino-2-methylpropyl)carbamic acid
CID 426714
3-(Tert-butylamino)pyrrolidine-1-carboxylic acid
CID 9920571
dipropylcarbamic acid;N-propylpropan-1-amine
CID 14741618
2,2-Dimethylpiperazine-1-carboxylic acid
CID 17932937
2-Methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 18457953

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(methylamino)ethyl]carbamic acid (CID 19868746) is tert-butyl-[2-(methylamino)ethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(methylamino)ethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(methylamino)ethyl]carbamic acid is CNCCN(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(methylamino)ethyl]carbamic acid?
The InChIKey is VOAVHNKTNZQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,3)10(7(11)12)6-5-9-4/h9H,5-6H2,1-4H3,(H,11,12).
What are the key properties of tert-butyl-[2-(methylamino)ethyl]carbamic acid?
tert-butyl-[2-(methylamino)ethyl]carbamic acid has a molecular weight of 174.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(methylamino)ethyl]carbamic acid is sourced from PubChem (CID 19868746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).