[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine

C15H30N2 — CID 81005227

IUPAC[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
SMILESCC(C)(C)C1CCCN(C2CCC2CN)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)13-5-4-9-17(10-8-13)14-7-6-12(14)11-16/h12-14H,4-11,16H2,1-3H3
InChIKeyIGEGDUKERXZHRP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.87
Rot. Bonds2

About [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine

[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine (PubChem CID 81005227) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
PubChem CID81005227
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine
SMILESCC(C)(C)C1CCCN(C2CCC2CN)CC1
InChIInChI=1S/C15H30N2/c1-15(2,3)13-5-4-9-17(10-8-13)14-7-6-12(14)11-16/h12-14H,4-11,16H2,1-3H3
InChIKeyIGEGDUKERXZHRP-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine?
The IUPAC name of [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine (CID 81005227) is [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine is CC(C)(C)C1CCCN(C2CCC2CN)CC1.
What is the InChIKey of [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine?
The InChIKey is IGEGDUKERXZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)13-5-4-9-17(10-8-13)14-7-6-12(14)11-16/h12-14H,4-11,16H2,1-3H3.
What are the key properties of [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine?
[2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylazepan-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 81005227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).