N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine

C13H27N — CID 58961650

IUPACN-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine
SMILESCC(CCC(C)(C)C)N(C)C1CCC1
InChIInChI=1S/C13H27N/c1-11(9-10-13(2,3)4)14(5)12-7-6-8-12/h11-12H,6-10H2,1-5H3
InChIKeyIQHDZLPIUJNTST-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds4

About N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine

N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine (PubChem CID 58961650) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine
PubChem CID58961650
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine
SMILESCC(CCC(C)(C)C)N(C)C1CCC1
InChIInChI=1S/C13H27N/c1-11(9-10-13(2,3)4)14(5)12-7-6-8-12/h11-12H,6-10H2,1-5H3
InChIKeyIQHDZLPIUJNTST-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine?
The IUPAC name of N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine (CID 58961650) is N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine.
What is the SMILES notation for N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine?
The canonical SMILES for N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine is CC(CCC(C)(C)C)N(C)C1CCC1.
What is the InChIKey of N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine?
The InChIKey is IQHDZLPIUJNTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-11(9-10-13(2,3)4)14(5)12-7-6-8-12/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine?
N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine is sourced from PubChem (CID 58961650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).