N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide

C15H31N3O2 — CID 170637005

IUPACN'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide
SMILESCC(CCCCNC(=O)CCCC(N)=O)CNC(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)18-11-13(3)7-4-5-10-17-15(20)9-6-8-14(16)19/h12-13,18H,4-11H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyNDRILIOBVPAGIW-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.56
Rot. Bonds12

About N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide

N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide (PubChem CID 170637005) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide.

Molecular Properties

Compound NameN'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide
PubChem CID170637005
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide
SMILESCC(CCCCNC(=O)CCCC(N)=O)CNC(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)18-11-13(3)7-4-5-10-17-15(20)9-6-8-14(16)19/h12-13,18H,4-11H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyNDRILIOBVPAGIW-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[4-(5-hydroxyhexanoylamino)butyl]hexanamide
CID 101050420
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid
CID 171621768
N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
6-[2-[(5-amino-5-oxopentanoyl)amino]ethylcarbamoylamino]-2-methylhexanoic acid;pentanedioic acid;urea
CID 171621767
5-(4-hydroxypentylamino)-5-oxopentanoic acid
CID 106120356
N'-octylhexanediamide
CID 18377759
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-docosyldocosanediamide
CID 91257562
22-(docosanoylamino)docosanamide
CID 90926402
2-amino-5-[[8-[(8-amino-8-oxooctyl)amino]-8-oxooctyl]amino]-5-oxopentanoic acid;sulfane
CID 158644391

Frequently Asked Questions

What is the IUPAC name of N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide?
The IUPAC name of N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide (CID 170637005) is N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide.
What is the SMILES notation for N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide?
The canonical SMILES for N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide is CC(CCCCNC(=O)CCCC(N)=O)CNC(C)C.
What is the InChIKey of N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide?
The InChIKey is NDRILIOBVPAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)18-11-13(3)7-4-5-10-17-15(20)9-6-8-14(16)19/h12-13,18H,4-11H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide?
N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide has a molecular weight of 285.43 g/mol, XLogP of 1.56, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-methyl-6-(propan-2-ylamino)hexyl]pentanediamide is sourced from PubChem (CID 170637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).