N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

C15H30N2 — CID 81000103

IUPACN-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-15(2,3)16-12-13-8-9-14(13)17-10-6-4-5-7-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyDGXADFLLURUEKN-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 81000103) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID81000103
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1N1CCCCCC1
InChIInChI=1S/C15H30N2/c1-15(2,3)16-12-13-8-9-14(13)17-10-6-4-5-7-11-17/h13-14,16H,4-12H2,1-3H3
InChIKeyDGXADFLLURUEKN-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine (CID 81000103) is N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1N1CCCCCC1.
What is the InChIKey of N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DGXADFLLURUEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(2,3)16-12-13-8-9-14(13)17-10-6-4-5-7-11-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81000103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).