N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide

C15H30N2O — CID 110441883

IUPACN-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCCN1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2)15(18)16-10-6-5-9-13-17-11-7-3-4-8-12-17/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyNWSFCDWNOQDDII-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.80
Rot. Bonds7

About N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide

N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide (PubChem CID 110441883) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
PubChem CID110441883
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCCCCN1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2)15(18)16-10-6-5-9-13-17-11-7-3-4-8-12-17/h14H,3-13H2,1-2H3,(H,16,18)
InChIKeyNWSFCDWNOQDDII-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.80
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

N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
3-amino-2-methyl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 120502610
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
CID 170603278
(2S)-2-amino-4-methyl-N-(3-piperidin-1-ylpropyl)pentanamide;dihydrochloride
CID 119835548
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
3-piperidin-1-ylpropyl N-[6-(3-piperidin-1-ylpropoxycarbonylamino)hexyl]carbamate
CID 156847315
3-amino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-3-sulfanylidenepropanamide
CID 62993392
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide?
The IUPAC name of N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide (CID 110441883) is N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide is CC(C)C(=O)NCCCCCN1CCCCCC1.
What is the InChIKey of N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide?
The InChIKey is NWSFCDWNOQDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2)15(18)16-10-6-5-9-13-17-11-7-3-4-8-12-17/h14H,3-13H2,1-2H3,(H,16,18).
What are the key properties of N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide?
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide has a molecular weight of 254.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide is sourced from PubChem (CID 110441883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).