N,N'-bis(3-methylbutyl)hexanediamide

C16H32N2O2 — CID 5045138

IUPACN,N'-bis(3-methylbutyl)hexanediamide
SMILESCC(C)CCNC(=O)CCCCC(=O)NCCC(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)9-11-17-15(19)7-5-6-8-16(20)18-12-10-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRYFMLMCQKBNTEA-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds11

About N,N'-bis(3-methylbutyl)hexanediamide

N,N'-bis(3-methylbutyl)hexanediamide (PubChem CID 5045138) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N,N'-bis(3-methylbutyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(3-methylbutyl)hexanediamide
PubChem CID5045138
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN,N'-bis(3-methylbutyl)hexanediamide
SMILESCC(C)CCNC(=O)CCCCC(=O)NCCC(C)C
InChIInChI=1S/C16H32N2O2/c1-13(2)9-11-17-15(19)7-5-6-8-16(20)18-12-10-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyRYFMLMCQKBNTEA-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
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

ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
(Z)-N-(3-methylbutyl)docos-13-enamide
CID 170129980
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
N-butyl-7-methyloctanamide
CID 154028337
[6-(3-methylbutylamino)-6-oxohexyl] nitrate
CID 134467256
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-hexyl-6-methylheptanamide
CID 141197249
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-methylbutyl)hexanediamide?
The IUPAC name of N,N'-bis(3-methylbutyl)hexanediamide (CID 5045138) is N,N'-bis(3-methylbutyl)hexanediamide.
What is the SMILES notation for N,N'-bis(3-methylbutyl)hexanediamide?
The canonical SMILES for N,N'-bis(3-methylbutyl)hexanediamide is CC(C)CCNC(=O)CCCCC(=O)NCCC(C)C.
What is the InChIKey of N,N'-bis(3-methylbutyl)hexanediamide?
The InChIKey is RYFMLMCQKBNTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-13(2)9-11-17-15(19)7-5-6-8-16(20)18-12-10-14(3)4/h13-14H,5-12H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-bis(3-methylbutyl)hexanediamide?
N,N'-bis(3-methylbutyl)hexanediamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-methylbutyl)hexanediamide is sourced from PubChem (CID 5045138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).