N-(azepan-4-yl)-4-methylpentanamide

C12H24N2O — CID 105059595

IUPACN-(azepan-4-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCNCC1
InChIInChI=1S/C12H24N2O/c1-10(2)5-6-12(15)14-11-4-3-8-13-9-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyJNPCISYRSFEDPL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds4

About N-(azepan-4-yl)-4-methylpentanamide

N-(azepan-4-yl)-4-methylpentanamide (PubChem CID 105059595) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(azepan-4-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-4-methylpentanamide
PubChem CID105059595
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(azepan-4-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCCNCC1
InChIInChI=1S/C12H24N2O/c1-10(2)5-6-12(15)14-11-4-3-8-13-9-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyJNPCISYRSFEDPL-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(azepan-4-yl)butanamide
CID 130643383
N-(azepan-4-yl)dodecanamide
CID 105060891
N-(azepan-4-yl)-3-methylsulfonylpropanamide
CID 107172326
3-(azepan-4-ylamino)-N-cyclopropylpropanamide
CID 103982443
2-(3-methylbutylsulfanyl)-N-piperidin-4-ylacetamide
CID 119389143
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
4-methyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 43523174
N-piperidin-4-yl-3-propan-2-yloxypropanamide;hydrochloride
CID 119386638
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-(azepan-4-yl)-2-(2-methoxyethoxy)acetamide
CID 105061038
N-(azepan-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 105061008

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-4-methylpentanamide?
The IUPAC name of N-(azepan-4-yl)-4-methylpentanamide (CID 105059595) is N-(azepan-4-yl)-4-methylpentanamide.
What is the SMILES notation for N-(azepan-4-yl)-4-methylpentanamide?
The canonical SMILES for N-(azepan-4-yl)-4-methylpentanamide is CC(C)CCC(=O)NC1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-4-methylpentanamide?
The InChIKey is JNPCISYRSFEDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)5-6-12(15)14-11-4-3-8-13-9-7-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(azepan-4-yl)-4-methylpentanamide?
N-(azepan-4-yl)-4-methylpentanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-4-methylpentanamide is sourced from PubChem (CID 105059595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).