N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide

C15H32N2O — CID 130327808

IUPACN-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
SMILESCC(C)CCCCNC(=O)CCCCNC(C)C
InChIInChI=1S/C15H32N2O/c1-13(2)9-5-7-12-17-15(18)10-6-8-11-16-14(3)4/h13-14,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyGGWOMAXOQADHFY-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.10
Rot. Bonds11

About N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide

N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide (PubChem CID 130327808) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound NameN-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
PubChem CID130327808
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
SMILESCC(C)CCCCNC(=O)CCCCNC(C)C
InChIInChI=1S/C15H32N2O/c1-13(2)9-5-7-12-17-15(18)10-6-8-11-16-14(3)4/h13-14,16H,5-12H2,1-4H3,(H,17,18)
InChIKeyGGWOMAXOQADHFY-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.10
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

6-(methylamino)-N-[3-(propan-2-ylamino)propyl]hexanamide
CID 168958989
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
N-hexyl-6-methylheptanamide
CID 141197249
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
N-[5-[2,6-bis(6-methylheptanoylamino)hexanoylamino]-7-methyl-6-oxooctyl]-6-methylheptanamide;6-methyl-N-[5-(6-methylheptanoylamino)-6-[[2-methyl-3-oxo-8-(propan-2-ylamino)octan-4-yl]amino]-6-oxohexyl]heptanamide
CID 165066016
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
12-(5-methylhexylamino)-12-oxododecanethioic S-acid
CID 156820065
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
N-butyl-7-methyloctanamide
CID 154028337

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide?
The IUPAC name of N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide (CID 130327808) is N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide.
What is the SMILES notation for N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide?
The canonical SMILES for N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide is CC(C)CCCCNC(=O)CCCCNC(C)C.
What is the InChIKey of N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide?
The InChIKey is GGWOMAXOQADHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)9-5-7-12-17-15(18)10-6-8-11-16-14(3)4/h13-14,16H,5-12H2,1-4H3,(H,17,18).
What are the key properties of N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide?
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.10, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 130327808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).