methyl N-(2-amino-4-methylpentyl)carbamate

C8H18N2O2 — CID 107158940

IUPACmethyl N-(2-amino-4-methylpentyl)carbamate
SMILESCOC(=O)NCC(N)CC(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)4-7(9)5-10-8(11)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOJMMXSSPTNFOGR-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.72
Rot. Bonds4

About methyl N-(2-amino-4-methylpentyl)carbamate

methyl N-(2-amino-4-methylpentyl)carbamate (PubChem CID 107158940) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is methyl N-(2-amino-4-methylpentyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-4-methylpentyl)carbamate
PubChem CID107158940
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namemethyl N-(2-amino-4-methylpentyl)carbamate
SMILESCOC(=O)NCC(N)CC(C)C
InChIInChI=1S/C8H18N2O2/c1-6(2)4-7(9)5-10-8(11)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOJMMXSSPTNFOGR-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-amino-4-methylpentyl)carbamate
CID 107158934
[(2S)-2-amino-4-methylpentyl]carbamic acid
CID 155804554
N-(2-amino-4-methylpentyl)-2-methylpropanamide
CID 107158681
N-(2-amino-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 107158847
ethyl (3S)-3-[(methoxycarbonylamino)methyl]-5-methylhexanoate
CID 25122113
methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
N-(2-amino-4-methylpentyl)-2-methylsulfonylacetamide
CID 107158792
N-(2-amino-4-methylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 107158751
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
N-(2-amino-4-methylpentyl)dodecanamide
CID 107158867

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-4-methylpentyl)carbamate?
The IUPAC name of methyl N-(2-amino-4-methylpentyl)carbamate (CID 107158940) is methyl N-(2-amino-4-methylpentyl)carbamate.
What is the SMILES notation for methyl N-(2-amino-4-methylpentyl)carbamate?
The canonical SMILES for methyl N-(2-amino-4-methylpentyl)carbamate is COC(=O)NCC(N)CC(C)C.
What is the InChIKey of methyl N-(2-amino-4-methylpentyl)carbamate?
The InChIKey is OJMMXSSPTNFOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(2)4-7(9)5-10-8(11)12-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of methyl N-(2-amino-4-methylpentyl)carbamate?
methyl N-(2-amino-4-methylpentyl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-4-methylpentyl)carbamate is sourced from PubChem (CID 107158940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).