N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide

C14H30N2O — CID 65190783

IUPACN-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(CN)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)12(9-15)16-13(17)7-11(3)8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyJTLOWCBZXYVLLO-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.55
Rot. Bonds6

About N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide

N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide (PubChem CID 65190783) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
PubChem CID65190783
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NC(CN)C(C)C)CC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-10(2)12(9-15)16-13(17)7-11(3)8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17)
InChIKeyJTLOWCBZXYVLLO-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-trimethylhexanehydrazide
CID 142619235
3,5,5-trimethyl-N-(3-oxobutan-2-yl)hexanamide
CID 64997307
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide
CID 77038692
(2R)-4-amino-4-oxo-2-(3,5,5-trimethylhexanoylamino)butanoic acid
CID 114004733
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-(1-amino-1-sulfanylidenepentan-3-yl)-3,5,5-trimethylhexanamide
CID 62651644
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
2-[(4-amino-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 81086648
manganese;3,5,5-trimethylhexanoic acid
CID 170844741
3,5,5-trimethylhexanoic acid;zirconium
CID 174506676
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide (CID 65190783) is N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide is CC(CC(=O)NC(CN)C(C)C)CC(C)(C)C.
What is the InChIKey of N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
The InChIKey is JTLOWCBZXYVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-10(2)12(9-15)16-13(17)7-11(3)8-14(4,5)6/h10-12H,7-9,15H2,1-6H3,(H,16,17).
What are the key properties of N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide?
N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide has a molecular weight of 242.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methylbutan-2-yl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 65190783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).