N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide

C14H28N2O — CID 66006223

IUPACN-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1CC(N)C1)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(8-14(2,3)4)5-13(17)16-9-11-6-12(15)7-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyPURYONHAMLZYKX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds5

About N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide

N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide (PubChem CID 66006223) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
PubChem CID66006223
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide
SMILESCC(CC(=O)NCC1CC(N)C1)CC(C)(C)C
InChIInChI=1S/C14H28N2O/c1-10(8-14(2,3)4)5-13(17)16-9-11-6-12(15)7-11/h10-12H,5-9,15H2,1-4H3,(H,16,17)
InChIKeyPURYONHAMLZYKX-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
3,5,5-trimethylhexanehydrazide
CID 142619235
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-3,5,5-trimethylhexan-1-one
CID 61233873
N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(azetidin-3-yl)-3,5,5-trimethylhexanamide
CID 66186755
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,5,5-trimethylhexanamide
CID 103970115
N-[[4-(aminomethyl)phenyl]methyl]-3,5,5-trimethylhexanamide
CID 60917827
4-amino-3-methyl-N-[(4-methylcyclohexyl)methyl]butanamide
CID 81079716

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide (CID 66006223) is N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide is CC(CC(=O)NCC1CC(N)C1)CC(C)(C)C.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide?
The InChIKey is PURYONHAMLZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(8-14(2,3)4)5-13(17)16-9-11-6-12(15)7-11/h10-12H,5-9,15H2,1-4H3,(H,16,17).
What are the key properties of N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide?
N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 66006223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).