5-(cycloheptylmethylamino)pentanamide

C13H26N2O — CID 106233402

IUPAC5-(cycloheptylmethylamino)pentanamide
SMILESNC(=O)CCCCNCC1CCCCCC1
InChIInChI=1S/C13H26N2O/c14-13(16)9-5-6-10-15-11-12-7-3-1-2-4-8-12/h12,15H,1-11H2,(H2,14,16)
InChIKeyMGNZKTGLTLRQFO-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.20
Rot. Bonds7

About 5-(cycloheptylmethylamino)pentanamide

5-(cycloheptylmethylamino)pentanamide (PubChem CID 106233402) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-(cycloheptylmethylamino)pentanamide.

Molecular Properties

Compound Name5-(cycloheptylmethylamino)pentanamide
PubChem CID106233402
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name5-(cycloheptylmethylamino)pentanamide
SMILESNC(=O)CCCCNCC1CCCCCC1
InChIInChI=1S/C13H26N2O/c14-13(16)9-5-6-10-15-11-12-7-3-1-2-4-8-12/h12,15H,1-11H2,(H2,14,16)
InChIKeyMGNZKTGLTLRQFO-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.20
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-(cyclohexylmethylamino)butanoic acid
CID 24705289
18-cyclohexyloctadecanamide
CID 70490920
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
cyclohexanamine;hexanediamide;methane
CID 175540568
6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
CID 39969417
6-chloro-N-(cyclohexylmethyl)hexan-1-amine
CID 107845744
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
cyclohexane;hexanediamide
CID 22340258
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
2-cyclodecylacetamide
CID 150110792
3-(cyclohexylmethylamino)-N'-hydroxypropanimidamide
CID 77028587

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylmethylamino)pentanamide?
The IUPAC name of 5-(cycloheptylmethylamino)pentanamide (CID 106233402) is 5-(cycloheptylmethylamino)pentanamide.
What is the SMILES notation for 5-(cycloheptylmethylamino)pentanamide?
The canonical SMILES for 5-(cycloheptylmethylamino)pentanamide is NC(=O)CCCCNCC1CCCCCC1.
What is the InChIKey of 5-(cycloheptylmethylamino)pentanamide?
The InChIKey is MGNZKTGLTLRQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c14-13(16)9-5-6-10-15-11-12-7-3-1-2-4-8-12/h12,15H,1-11H2,(H2,14,16).
What are the key properties of 5-(cycloheptylmethylamino)pentanamide?
5-(cycloheptylmethylamino)pentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylmethylamino)pentanamide is sourced from PubChem (CID 106233402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).