methyl N-(4-methylpentan-2-yl)carbamate

C8H17NO2 — CID 88914319

IUPACmethyl N-(4-methylpentan-2-yl)carbamate
SMILESCOC(=O)NC(C)CC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(3)9-8(10)11-4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeySRJOMSWXTLSLQX-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.78
Rot. Bonds3

About methyl N-(4-methylpentan-2-yl)carbamate

methyl N-(4-methylpentan-2-yl)carbamate (PubChem CID 88914319) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is methyl N-(4-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methylpentan-2-yl)carbamate
PubChem CID88914319
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namemethyl N-(4-methylpentan-2-yl)carbamate
SMILESCOC(=O)NC(C)CC(C)C
InChIInChI=1S/C8H17NO2/c1-6(2)5-7(3)9-8(10)11-4/h6-7H,5H2,1-4H3,(H,9,10)
InChIKeySRJOMSWXTLSLQX-UHFFFAOYSA-N
XLogP1.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(5-methyl-2-oxohexan-3-yl)carbamate
CID 76748029
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl N-[(4R)-2,2,6-trimethyl-3-oxoheptan-4-yl]carbamate
CID 59450088
methyl N-(1-bromo-5-methyl-2-oxohexan-3-yl)carbamate
CID 104700674
ethyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 89138775
methyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 47407232
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
tert-butyl N-[4-(4-methylpentan-2-ylamino)butan-2-yl]carbamate
CID 103901742
methyl N-[(4S)-2,2,6-trimethyl-3-oxoheptan-4-yl]carbamate;sulfane
CID 158339082
methyl N-(2,2,6-trimethylheptan-3-yl)carbamate
CID 59664754
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
2-(methylamino)-N-(4-methylpentan-2-yl)propanamide
CID 62638556

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylpentan-2-yl)carbamate?
The IUPAC name of methyl N-(4-methylpentan-2-yl)carbamate (CID 88914319) is methyl N-(4-methylpentan-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methylpentan-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methylpentan-2-yl)carbamate is COC(=O)NC(C)CC(C)C.
What is the InChIKey of methyl N-(4-methylpentan-2-yl)carbamate?
The InChIKey is SRJOMSWXTLSLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)5-7(3)9-8(10)11-4/h6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of methyl N-(4-methylpentan-2-yl)carbamate?
methyl N-(4-methylpentan-2-yl)carbamate has a molecular weight of 159.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylpentan-2-yl)carbamate is sourced from PubChem (CID 88914319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).