methyl N-(1-aminopentan-3-yl)carbamate

C7H16N2O2 — CID 62651614

IUPACmethyl N-(1-aminopentan-3-yl)carbamate
SMILESCCC(CCN)NC(=O)OC
InChIInChI=1S/C7H16N2O2/c1-3-6(4-5-8)9-7(10)11-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeySDEWVMPXYYUKEH-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.47
Rot. Bonds4

About methyl N-(1-aminopentan-3-yl)carbamate

methyl N-(1-aminopentan-3-yl)carbamate (PubChem CID 62651614) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is methyl N-(1-aminopentan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-aminopentan-3-yl)carbamate
PubChem CID62651614
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Namemethyl N-(1-aminopentan-3-yl)carbamate
SMILESCCC(CCN)NC(=O)OC
InChIInChI=1S/C7H16N2O2/c1-3-6(4-5-8)9-7(10)11-2/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeySDEWVMPXYYUKEH-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-(1-aminopentan-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-hept-6-en-3-ylcarbamate
CID 176564834
methyl N-[1-(methoxycarbonylamino)butan-2-yl]carbamate
CID 54287904
N-(1-aminopentan-3-yl)hexanamide
CID 62652516
2-(2-aminoethoxy)-N-hexan-3-ylacetamide
CID 79478574
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972
ethyl N-(1-aminopentan-3-ylsulfamoyl)carbamate
CID 114461389
N-(1-aminopentan-3-yl)-1-methylcyclohexane-1-carboxamide
CID 106825992
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
N-(1-aminopentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 62651239
ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157026850

Frequently Asked Questions

What is the IUPAC name of methyl N-(1-aminopentan-3-yl)carbamate?
The IUPAC name of methyl N-(1-aminopentan-3-yl)carbamate (CID 62651614) is methyl N-(1-aminopentan-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-aminopentan-3-yl)carbamate?
The canonical SMILES for methyl N-(1-aminopentan-3-yl)carbamate is CCC(CCN)NC(=O)OC.
What is the InChIKey of methyl N-(1-aminopentan-3-yl)carbamate?
The InChIKey is SDEWVMPXYYUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(4-5-8)9-7(10)11-2/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of methyl N-(1-aminopentan-3-yl)carbamate?
methyl N-(1-aminopentan-3-yl)carbamate has a molecular weight of 160.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-aminopentan-3-yl)carbamate is sourced from PubChem (CID 62651614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).