2-methylpropyl N-[2-(methylamino)ethyl]carbamate

C8H18N2O2 — CID 62658921

IUPAC2-methylpropyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCC(C)C
InChIInChI=1S/C8H18N2O2/c1-7(2)6-12-8(11)10-5-4-9-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeySVBQWOFBUOSOJC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.59
Rot. Bonds5

About 2-methylpropyl N-[2-(methylamino)ethyl]carbamate

2-methylpropyl N-[2-(methylamino)ethyl]carbamate (PubChem CID 62658921) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(methylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(methylamino)ethyl]carbamate
PubChem CID62658921
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-methylpropyl N-[2-(methylamino)ethyl]carbamate
SMILESCNCCNC(=O)OCC(C)C
InChIInChI=1S/C8H18N2O2/c1-7(2)6-12-8(11)10-5-4-9-3/h7,9H,4-6H2,1-3H3,(H,10,11)
InChIKeySVBQWOFBUOSOJC-UHFFFAOYSA-N
XLogP0.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-[3-(methylamino)propyl]carbamate
CID 43602360
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950
trifluoro-[2-(2-methylpropoxycarbonylamino)ethyl]boranuide
CID 142378146
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-[2-[(2,2-diphenylacetyl)amino]ethyl]carbamate
CID 108570960
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905
2-methylpropyl N-hydroxycarbamate
CID 22467
2-methylpropyl N-[2-(4-aminophenoxy)ethyl]carbamate
CID 61031617
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(methylamino)ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(methylamino)ethyl]carbamate (CID 62658921) is 2-methylpropyl N-[2-(methylamino)ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(methylamino)ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(methylamino)ethyl]carbamate is CNCCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[2-(methylamino)ethyl]carbamate?
The InChIKey is SVBQWOFBUOSOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-7(2)6-12-8(11)10-5-4-9-3/h7,9H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-methylpropyl N-[2-(methylamino)ethyl]carbamate?
2-methylpropyl N-[2-(methylamino)ethyl]carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(methylamino)ethyl]carbamate is sourced from PubChem (CID 62658921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).