N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide

C15H30N2O — CID 114753235

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)C1CCCC1CN
InChIInChI=1S/C15H30N2O/c1-3-5-6-7-11-15(18)17(4-2)14-10-8-9-13(14)12-16/h13-14H,3-12,16H2,1-2H3
InChIKeyARTXITVFNIIWDQ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide

N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide (PubChem CID 114753235) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide
PubChem CID114753235
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide
SMILESCCCCCCC(=O)N(CC)C1CCCC1CN
InChIInChI=1S/C15H30N2O/c1-3-5-6-7-11-15(18)17(4-2)14-10-8-9-13(14)12-16/h13-14H,3-12,16H2,1-2H3
InChIKeyARTXITVFNIIWDQ-UHFFFAOYSA-N
XLogP2.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
N-(2-aminoethyl)-N-cyclobutylheptanamide
CID 102874052
N-[2-(aminomethyl)cyclopentyl]-N-ethylpiperidine-1-carboxamide
CID 79155815
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
N-(3-aminopropyl)-N-cyclobutylhexanamide
CID 102873870
N-(3-aminopropyl)-N-cycloheptylheptanamide
CID 114751887
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
N-(2-aminocyclohexyl)-N-decanoyldecanamide
CID 142723137
1-[2-(aminomethyl)cyclohexyl]octan-1-one
CID 116584516
N-cyclobutyl-N-(3-hydroxypropyl)decanamide
CID 102866665
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
N-(2-bromoethyl)-N-cyclobutyloctanamide
CID 102873095

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide (CID 114753235) is N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide is CCCCCCC(=O)N(CC)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide?
The InChIKey is ARTXITVFNIIWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-5-6-7-11-15(18)17(4-2)14-10-8-9-13(14)12-16/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide?
N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide has a molecular weight of 254.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethylheptanamide is sourced from PubChem (CID 114753235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).