2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine

C12H25N — CID 58818506

IUPAC2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(C(C)C)C1(C)CCC1
InChIInChI=1S/C12H25N/c1-9(2)11(13-10(3)4)12(5)7-6-8-12/h9-11,13H,6-8H2,1-5H3
InChIKeyUCXKTQFRLYIISA-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds4

About 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine

2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine (PubChem CID 58818506) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine
PubChem CID58818506
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC(C(C)C)C1(C)CCC1
InChIInChI=1S/C12H25N/c1-9(2)11(13-10(3)4)12(5)7-6-8-12/h9-11,13H,6-8H2,1-5H3
InChIKeyUCXKTQFRLYIISA-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine (CID 58818506) is 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine is CC(C)NC(C(C)C)C1(C)CCC1.
What is the InChIKey of 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is UCXKTQFRLYIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)11(13-10(3)4)12(5)7-6-8-12/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine?
2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylcyclobutyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 58818506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).