methyl N,N-bis(2-methylpropyl)carbamate

C10H21NO2 — CID 4305991

IUPACmethyl N,N-bis(2-methylpropyl)carbamate
SMILESCOC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyHNQLAKNJQCQSTJ-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.37
Rot. Bonds4

About methyl N,N-bis(2-methylpropyl)carbamate

methyl N,N-bis(2-methylpropyl)carbamate (PubChem CID 4305991) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl N,N-bis(2-methylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(2-methylpropyl)carbamate
PubChem CID4305991
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl N,N-bis(2-methylpropyl)carbamate
SMILESCOC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C10H21NO2/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3
InChIKeyHNQLAKNJQCQSTJ-UHFFFAOYSA-N
XLogP2.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Bis(2-methylpropyl)formamide
CID 75770
Carbamic acid, dipropyl-, ethyl ester
CID 23416
methyl N-[3-(dimethylamino)propyl]-N-methylcarbamate
CID 115904532
Carbamic acid, bis(1-methylethyl)-, methyl ester
CID 568417
Carbamic acid, dibutyl-, methyl ester
CID 3590545
methyl N-dipropylcarbamate
CID 19041830
methyl N-butyl-N-(methoxymethyl)carbamate
CID 139914062
methyl N-(1-methoxypropyl)-N-propylcarbamate
CID 139914074
2-Methylpropyl diethylcarbamate
CID 13314072
2-methylpropyl N,N-dibutylcarbamate
CID 13751147
Isobutylcarbamate, N,N-dipropyl
CID 59217983
Isobutylcarbamate, N,Np-diisobutyl
CID 59217991

Frequently Asked Questions

What is the IUPAC name of methyl N,N-bis(2-methylpropyl)carbamate?
The IUPAC name of methyl N,N-bis(2-methylpropyl)carbamate (CID 4305991) is methyl N,N-bis(2-methylpropyl)carbamate.
What is the SMILES notation for methyl N,N-bis(2-methylpropyl)carbamate?
The canonical SMILES for methyl N,N-bis(2-methylpropyl)carbamate is COC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of methyl N,N-bis(2-methylpropyl)carbamate?
The InChIKey is HNQLAKNJQCQSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)6-11(7-9(3)4)10(12)13-5/h8-9H,6-7H2,1-5H3.
What are the key properties of methyl N,N-bis(2-methylpropyl)carbamate?
methyl N,N-bis(2-methylpropyl)carbamate has a molecular weight of 187.28 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(2-methylpropyl)carbamate is sourced from PubChem (CID 4305991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).