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

C14H22N2O2 — CID 106116281

IUPACphenyl N-[2-(2-aminoethyl)pentyl]carbamate
SMILESCCCC(CCN)CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-6-12(9-10-15)11-16-14(17)18-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,15H2,1H3,(H,16,17)
InChIKeyFNXZLDKLQYZQGI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds7

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

phenyl N-[2-(2-aminoethyl)pentyl]carbamate (PubChem CID 106116281) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is phenyl N-[2-(2-aminoethyl)pentyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-(2-aminoethyl)pentyl]carbamate
PubChem CID106116281
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namephenyl N-[2-(2-aminoethyl)pentyl]carbamate
SMILESCCCC(CCN)CNC(=O)Oc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-6-12(9-10-15)11-16-14(17)18-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,15H2,1H3,(H,16,17)
InChIKeyFNXZLDKLQYZQGI-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116272
phenyl N-(2-aminobutyl)carbamate
CID 63732215
N-[2-(2-aminoethyl)pentyl]-2-(3-methoxyphenyl)acetamide
CID 106116064
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-3-methylbenzamide
CID 106116184
phenyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908400
2-phenoxycarbonylpentanoic acid
CID 54073131
phenyl 2-hydroxypentanoate
CID 141237122
2-hydroxy-3-(phenoxycarbonylamino)propanoic acid
CID 66167293
phenyl N-(2-methylsulfanylpropyl)carbamate
CID 115759417
N-[2-(2-aminoethyl)pentyl]-2-hydroxy-4-methoxybenzamide
CID 106116218
phenyl N-[1-oxo-1-(propylamino)propan-2-yl]carbamate
CID 60659612
3-[2-(2-aminoethyl)pentyl]-1,1-dimethylurea
CID 106116295

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(2-aminoethyl)pentyl]carbamate?
The IUPAC name of phenyl N-[2-(2-aminoethyl)pentyl]carbamate (CID 106116281) is phenyl N-[2-(2-aminoethyl)pentyl]carbamate.
What is the SMILES notation for phenyl N-[2-(2-aminoethyl)pentyl]carbamate?
The canonical SMILES for phenyl N-[2-(2-aminoethyl)pentyl]carbamate is CCCC(CCN)CNC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(2-aminoethyl)pentyl]carbamate?
The InChIKey is FNXZLDKLQYZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-6-12(9-10-15)11-16-14(17)18-13-7-4-3-5-8-13/h3-5,7-8,12H,2,6,9-11,15H2,1H3,(H,16,17).
What are the key properties of phenyl N-[2-(2-aminoethyl)pentyl]carbamate?
phenyl N-[2-(2-aminoethyl)pentyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(2-aminoethyl)pentyl]carbamate is sourced from PubChem (CID 106116281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).