4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide

C17H34N2O — CID 106011723

IUPAC4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCCC1CCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)16(11-12-18)9-10-17(20)19-13-5-8-15-6-3-4-7-15/h14-16H,3-13,18H2,1-2H3,(H,19,20)
InChIKeyTXBNPIIAGFBMTD-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds10

About 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide (PubChem CID 106011723) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
PubChem CID106011723
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
SMILESCC(C)C(CCN)CCC(=O)NCCCC1CCCC1
InChIInChI=1S/C17H34N2O/c1-14(2)16(11-12-18)9-10-17(20)19-13-5-8-15-6-3-4-7-15/h14-16H,3-13,18H2,1-2H3,(H,19,20)
InChIKeyTXBNPIIAGFBMTD-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
4-(2-aminoethyl)-5-methyl-N-(3-propoxypropyl)hexanamide
CID 82941854
6-(2-aminoethyl)-1-cyclopropyl-7-methyloctan-3-one
CID 116577998
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
4-(2-aminoethyl)-5-methyl-N-(thian-2-ylmethyl)hexanamide
CID 80600778
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide (CID 106011723) is 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide is CC(C)C(CCN)CCC(=O)NCCCC1CCCC1.
What is the InChIKey of 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
The InChIKey is TXBNPIIAGFBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)16(11-12-18)9-10-17(20)19-13-5-8-15-6-3-4-7-15/h14-16H,3-13,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide is sourced from PubChem (CID 106011723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).