[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine

C13H27N — CID 170062780

IUPAC[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1(CCC(C)C)CC(CN)C1
InChIInChI=1S/C13H27N/c1-4-6-13(7-5-11(2)3)8-12(9-13)10-14/h11-12H,4-10,14H2,1-3H3
InChIKeyJGKDEBBDRPOKET-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.58
Rot. Bonds6

About [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine

[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine (PubChem CID 170062780) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine
PubChem CID170062780
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine
SMILESCCCC1(CCC(C)C)CC(CN)C1
InChIInChI=1S/C13H27N/c1-4-6-13(7-5-11(2)3)8-12(9-13)10-14/h11-12H,4-10,14H2,1-3H3
InChIKeyJGKDEBBDRPOKET-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine?
The IUPAC name of [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine (CID 170062780) is [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine.
What is the SMILES notation for [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine?
The canonical SMILES for [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine is CCCC1(CCC(C)C)CC(CN)C1.
What is the InChIKey of [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine?
The InChIKey is JGKDEBBDRPOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-13(7-5-11(2)3)8-12(9-13)10-14/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine?
[3-(3-methylbutyl)-3-propylcyclobutyl]methanamine has a molecular weight of 197.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)-3-propylcyclobutyl]methanamine is sourced from PubChem (CID 170062780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).