methyl N-[2-(2-aminoethyl)pentyl]carbamate

C9H20N2O2 — CID 106116272

IUPACmethyl N-[2-(2-aminoethyl)pentyl]carbamate
SMILESCCCC(CCN)CNC(=O)OC
InChIInChI=1S/C9H20N2O2/c1-3-4-8(5-6-10)7-11-9(12)13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyRZDPOPGYURSSCR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.11
Rot. Bonds6

About methyl N-[2-(2-aminoethyl)pentyl]carbamate

methyl N-[2-(2-aminoethyl)pentyl]carbamate (PubChem CID 106116272) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methyl N-[2-(2-aminoethyl)pentyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-aminoethyl)pentyl]carbamate
PubChem CID106116272
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Namemethyl N-[2-(2-aminoethyl)pentyl]carbamate
SMILESCCCC(CCN)CNC(=O)OC
InChIInChI=1S/C9H20N2O2/c1-3-4-8(5-6-10)7-11-9(12)13-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyRZDPOPGYURSSCR-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295
N-[2-(2-aminoethyl)pentyl]-2,2-dimethylpropanamide
CID 106116137
N-[2-(2-aminoethyl)pentyl]-4-methoxy-3-methylbutanamide
CID 106116087
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
N-[2-(2-aminoethyl)pentyl]azepane-1-carboxamide
CID 106116291
N-[2-(2-aminoethyl)pentyl]piperidine-1-carboxamide
CID 106116294
N-[2-(2-aminoethyl)pentyl]-3-(2,2-difluoroethoxy)propanamide
CID 106116164
N-[2-(2-aminoethyl)pentyl]-2-cyclopentylacetamide
CID 106116170
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2-aminoethyl)pentyl]carbamate?
The IUPAC name of methyl N-[2-(2-aminoethyl)pentyl]carbamate (CID 106116272) is methyl N-[2-(2-aminoethyl)pentyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-aminoethyl)pentyl]carbamate?
The canonical SMILES for methyl N-[2-(2-aminoethyl)pentyl]carbamate is CCCC(CCN)CNC(=O)OC.
What is the InChIKey of methyl N-[2-(2-aminoethyl)pentyl]carbamate?
The InChIKey is RZDPOPGYURSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-8(5-6-10)7-11-9(12)13-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of methyl N-[2-(2-aminoethyl)pentyl]carbamate?
methyl N-[2-(2-aminoethyl)pentyl]carbamate has a molecular weight of 188.27 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-aminoethyl)pentyl]carbamate is sourced from PubChem (CID 106116272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).