N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine

C12H25N — CID 58617291

IUPACN-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine
SMILESCC(CC(C)(C)C)N(C)C1CCC1
InChIInChI=1S/C12H25N/c1-10(9-12(2,3)4)13(5)11-7-6-8-11/h10-11H,6-9H2,1-5H3
InChIKeyYYPXJEVYOXTACX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.30
Rot. Bonds3

About N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine

N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine (PubChem CID 58617291) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine.

Molecular Properties

Compound NameN-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine
PubChem CID58617291
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine
SMILESCC(CC(C)(C)C)N(C)C1CCC1
InChIInChI=1S/C12H25N/c1-10(9-12(2,3)4)13(5)11-7-6-8-11/h10-11H,6-9H2,1-5H3
InChIKeyYYPXJEVYOXTACX-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine?
The IUPAC name of N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine (CID 58617291) is N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine.
What is the SMILES notation for N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine?
The canonical SMILES for N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine is CC(CC(C)(C)C)N(C)C1CCC1.
What is the InChIKey of N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine?
The InChIKey is YYPXJEVYOXTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(9-12(2,3)4)13(5)11-7-6-8-11/h10-11H,6-9H2,1-5H3.
What are the key properties of N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine?
N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine has a molecular weight of 183.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine is sourced from PubChem (CID 58617291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).