N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide

C17H26N2O — CID 62585571

IUPACN-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
SMILESNCCN(Cc1ccccc1)C(=O)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c18-12-13-19(14-15-8-4-3-5-9-15)17(20)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyPCUVQZKMCKXLGP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.94
Rot. Bonds5

About N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide

N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide (PubChem CID 62585571) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
PubChem CID62585571
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
SMILESNCCN(Cc1ccccc1)C(=O)C1CCCCCC1
InChIInChI=1S/C17H26N2O/c18-12-13-19(14-15-8-4-3-5-9-15)17(20)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2
InChIKeyPCUVQZKMCKXLGP-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-(2-phenylethyl)cyclohexanecarboxamide;hydrochloride
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N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
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N-(2-aminoethyl)-N-benzyl-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477971
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-(3-aminopropyl)-N-benzylcyclohex-3-ene-1-carboxamide
CID 107365878
N-(2-phenylethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexanecarboxamide
CID 42698365
N-benzylcyclopentanecarbohydrazide
CID 141018237
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
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CID 120649649

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide (CID 62585571) is N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide is NCCN(Cc1ccccc1)C(=O)C1CCCCCC1.
What is the InChIKey of N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide?
The InChIKey is PCUVQZKMCKXLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-12-13-19(14-15-8-4-3-5-9-15)17(20)16-10-6-1-2-7-11-16/h3-5,8-9,16H,1-2,6-7,10-14,18H2.
What are the key properties of N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide?
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide is sourced from PubChem (CID 62585571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).