N,N'-ditert-butylhexanediamide

C14H28N2O2 — CID 3593481

IUPACN,N'-ditert-butylhexanediamide
SMILESCC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)15-11(17)9-7-8-10-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyYPESXBJFZNIKFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.38
Rot. Bonds5

About N,N'-ditert-butylhexanediamide

N,N'-ditert-butylhexanediamide (PubChem CID 3593481) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N,N'-ditert-butylhexanediamide.

Molecular Properties

Compound NameN,N'-ditert-butylhexanediamide
PubChem CID3593481
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN,N'-ditert-butylhexanediamide
SMILESCC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)15-11(17)9-7-8-10-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18)
InChIKeyYPESXBJFZNIKFE-UHFFFAOYSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.38
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

N-tert-butyl-4-hydroxybutanamide
CID 11829724
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-tert-butylhex-5-enamide
CID 15640339
5-bromo-N-[3-(tert-butylamino)-3-oxopropyl]pentanamide
CID 107910537
[5-(tert-butylamino)-5-oxopentyl] prop-2-enoate
CID 59532918
N-tert-butyl-7-prop-2-enoxyheptanamide
CID 59532861
N-tert-butyl-7,11-dipropyltetradecanamide
CID 144715726
5-[[3-(tert-butylamino)-3-oxopropyl]amino]pentanoic acid
CID 103263111
N-(2-hydroxypropan-2-yl)heptanamide
CID 139307065
N-tert-butyl-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 3066543
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094

Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butylhexanediamide?
The IUPAC name of N,N'-ditert-butylhexanediamide (CID 3593481) is N,N'-ditert-butylhexanediamide.
What is the SMILES notation for N,N'-ditert-butylhexanediamide?
The canonical SMILES for N,N'-ditert-butylhexanediamide is CC(C)(C)NC(=O)CCCCC(=O)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butylhexanediamide?
The InChIKey is YPESXBJFZNIKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)15-11(17)9-7-8-10-12(18)16-14(4,5)6/h7-10H2,1-6H3,(H,15,17)(H,16,18).
What are the key properties of N,N'-ditert-butylhexanediamide?
N,N'-ditert-butylhexanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butylhexanediamide is sourced from PubChem (CID 3593481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).