N-(3-aminobutyl)-3,5,5-trimethylhexanamide

C13H28N2O — CID 63253495

IUPACN-(3-aminobutyl)-3,5,5-trimethylhexanamide
SMILESCC(N)CCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-13(3,4)5)8-12(16)15-7-6-11(2)14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyDPLADKARRYCNMT-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.30
Rot. Bonds6

About N-(3-aminobutyl)-3,5,5-trimethylhexanamide

N-(3-aminobutyl)-3,5,5-trimethylhexanamide (PubChem CID 63253495) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,5,5-trimethylhexanamide
PubChem CID63253495
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(3-aminobutyl)-3,5,5-trimethylhexanamide
SMILESCC(N)CCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C13H28N2O/c1-10(9-13(3,4)5)8-12(16)15-7-6-11(2)14/h10-11H,6-9,14H2,1-5H3,(H,15,16)
InChIKeyDPLADKARRYCNMT-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
3,5,5-trimethylhexanehydrazide
CID 142619235
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
CID 113430451
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
N-(3-aminobutyl)-3-ethylpentanamide
CID 119496661
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
CID 66006223
N-(3-aminobutyl)-2,2-dimethylbutanamide
CID 63253929

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,5,5-trimethylhexanamide?
The IUPAC name of N-(3-aminobutyl)-3,5,5-trimethylhexanamide (CID 63253495) is N-(3-aminobutyl)-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-(3-aminobutyl)-3,5,5-trimethylhexanamide?
The canonical SMILES for N-(3-aminobutyl)-3,5,5-trimethylhexanamide is CC(N)CCNC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-(3-aminobutyl)-3,5,5-trimethylhexanamide?
The InChIKey is DPLADKARRYCNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(9-13(3,4)5)8-12(16)15-7-6-11(2)14/h10-11H,6-9,14H2,1-5H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-3,5,5-trimethylhexanamide?
N-(3-aminobutyl)-3,5,5-trimethylhexanamide has a molecular weight of 228.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,5,5-trimethylhexanamide is sourced from PubChem (CID 63253495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).