2-methylpropyl N-[3-(methylamino)propyl]carbamate

C9H20N2O2 — CID 43602360

IUPAC2-methylpropyl N-[3-(methylamino)propyl]carbamate
SMILESCNCCCNC(=O)OCC(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2)7-13-9(12)11-6-4-5-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyLKVNBWRYVQGLKD-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.98
Rot. Bonds6

About 2-methylpropyl N-[3-(methylamino)propyl]carbamate

2-methylpropyl N-[3-(methylamino)propyl]carbamate (PubChem CID 43602360) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methylpropyl N-[3-(methylamino)propyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[3-(methylamino)propyl]carbamate
PubChem CID43602360
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-methylpropyl N-[3-(methylamino)propyl]carbamate
SMILESCNCCCNC(=O)OCC(C)C
InChIInChI=1S/C9H20N2O2/c1-8(2)7-13-9(12)11-6-4-5-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyLKVNBWRYVQGLKD-UHFFFAOYSA-N
XLogP0.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.98
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-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-(methylamino)ethyl N-[6-(methylamino)hexyl]carbamate
CID 155417435
trifluoro-[2-(2-methylpropoxycarbonylamino)ethyl]boranuide
CID 142378146
2-methylpropyl 6-(methylamino)hexanoate
CID 135294168
2-iodopropyl N-butylcarbamate
CID 175153431
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl 6-(butoxycarbonylamino)hexanoate
CID 91734843
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
2-methylpropyl N-[2-(4-oxopentanoylamino)ethyl]carbamate
CID 108574950

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[3-(methylamino)propyl]carbamate?
The IUPAC name of 2-methylpropyl N-[3-(methylamino)propyl]carbamate (CID 43602360) is 2-methylpropyl N-[3-(methylamino)propyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[3-(methylamino)propyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[3-(methylamino)propyl]carbamate is CNCCCNC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[3-(methylamino)propyl]carbamate?
The InChIKey is LKVNBWRYVQGLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(2)7-13-9(12)11-6-4-5-10-3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 2-methylpropyl N-[3-(methylamino)propyl]carbamate?
2-methylpropyl N-[3-(methylamino)propyl]carbamate has a molecular weight of 188.27 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[3-(methylamino)propyl]carbamate is sourced from PubChem (CID 43602360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).