3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide

C13H26N2O — CID 107418581

IUPAC3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
SMILESCCCC(N)CC(=O)NCC1CCCC1C
InChIInChI=1S/C13H26N2O/c1-3-5-12(14)8-13(16)15-9-11-7-4-6-10(11)2/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyYPDKMVDMXSWZKR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide

3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide (PubChem CID 107418581) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
PubChem CID107418581
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide
SMILESCCCC(N)CC(=O)NCC1CCCC1C
InChIInChI=1S/C13H26N2O/c1-3-5-12(14)8-13(16)15-9-11-7-4-6-10(11)2/h10-12H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyYPDKMVDMXSWZKR-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 110199279
(8aR,11aS)-1-propanoyl-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201562
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N-cycloheptylcyclopentanecarboxamide
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Cyclopentanecarboxylic acid piperidin-4-ylamide
CID 3163332
N-cycloheptyl-2-cyclopentylacetamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide?
The IUPAC name of 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide (CID 107418581) is 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide.
What is the SMILES notation for 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide?
The canonical SMILES for 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide is CCCC(N)CC(=O)NCC1CCCC1C.
What is the InChIKey of 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide?
The InChIKey is YPDKMVDMXSWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-12(14)8-13(16)15-9-11-7-4-6-10(11)2/h10-12H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide?
3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylcyclopentyl)methyl]hexanamide is sourced from PubChem (CID 107418581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).