1-(methylamino)propan-2-yl N-butylcarbamate

C9H20N2O2 — CID 79338018

IUPAC1-(methylamino)propan-2-yl N-butylcarbamate
SMILESCCCCNC(=O)OC(C)CNC
InChIInChI=1S/C9H20N2O2/c1-4-5-6-11-9(12)13-8(2)7-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyCEVYZFYOXUKLIE-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds6

About 1-(methylamino)propan-2-yl N-butylcarbamate

1-(methylamino)propan-2-yl N-butylcarbamate (PubChem CID 79338018) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(methylamino)propan-2-yl N-butylcarbamate.

Molecular Properties

Compound Name1-(methylamino)propan-2-yl N-butylcarbamate
PubChem CID79338018
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-(methylamino)propan-2-yl N-butylcarbamate
SMILESCCCCNC(=O)OC(C)CNC
InChIInChI=1S/C9H20N2O2/c1-4-5-6-11-9(12)13-8(2)7-10-3/h8,10H,4-7H2,1-3H3,(H,11,12)
InChIKeyCEVYZFYOXUKLIE-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
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-[6-(methylamino)hexylcarbamoyloxy]propyl formate
CID 170083157
phosphanyl N-butylcarbamate
CID 89204581
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
CID 173269465
1-nitrooxyethyl N-butylcarbamate
CID 142974870
6-(propan-2-yloxycarbonylamino)hexan-2-yl N-ethylcarbamate
CID 155481140
2-iodopropyl N-butylcarbamate
CID 175153431
[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
1-iodopropan-2-yl N-butylcarbamoperoxoate
CID 142721276
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
2-[6-(methylamino)hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
CID 154948695
1-cyclohexylethyl N-nonylcarbamate
CID 123611049

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-yl N-butylcarbamate?
The IUPAC name of 1-(methylamino)propan-2-yl N-butylcarbamate (CID 79338018) is 1-(methylamino)propan-2-yl N-butylcarbamate.
What is the SMILES notation for 1-(methylamino)propan-2-yl N-butylcarbamate?
The canonical SMILES for 1-(methylamino)propan-2-yl N-butylcarbamate is CCCCNC(=O)OC(C)CNC.
What is the InChIKey of 1-(methylamino)propan-2-yl N-butylcarbamate?
The InChIKey is CEVYZFYOXUKLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-5-6-11-9(12)13-8(2)7-10-3/h8,10H,4-7H2,1-3H3,(H,11,12).
What are the key properties of 1-(methylamino)propan-2-yl N-butylcarbamate?
1-(methylamino)propan-2-yl N-butylcarbamate has a molecular weight of 188.27 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-yl N-butylcarbamate is sourced from PubChem (CID 79338018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).