N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide

C17H26N2O — CID 106116034

IUPACN-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-6-14(9-12-18)13-19-16(20)17(10-11-17)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,18H2,1H3,(H,19,20)
InChIKeyKXZTWWYZLZMXKQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds8

About N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide

N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 106116034) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID106116034
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide
SMILESCCCC(CCN)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-2-6-14(9-12-18)13-19-16(20)17(10-11-17)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,18H2,1H3,(H,19,20)
InChIKeyKXZTWWYZLZMXKQ-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[2-(2-aminoethyl)pentyl]carbamate
CID 106116281
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
N-(1-aminohexan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 80698357
N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 95578914
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
CID 113273675
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-(6-aminohexyl)-1-phenylcyclopropane-1-carboxamide
CID 107844202
2-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]pentanoic acid
CID 65218799
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide (CID 106116034) is N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide is CCCC(CCN)CNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KXZTWWYZLZMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-14(9-12-18)13-19-16(20)17(10-11-17)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13,18H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 106116034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).