N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine

C15H30N2 — CID 81005662

IUPACN-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCCCCC1C
InChIInChI=1S/C15H30N2/c1-12(2)16-11-14-8-9-15(14)17-10-6-4-5-7-13(17)3/h12-16H,4-11H2,1-3H3
InChIKeyMYSVPOYYXRTWLF-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds4

About N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine

N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine (PubChem CID 81005662) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
PubChem CID81005662
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC1N1CCCCCC1C
InChIInChI=1S/C15H30N2/c1-12(2)16-11-14-8-9-15(14)17-10-6-4-5-7-13(17)3/h12-16H,4-11H2,1-3H3
InChIKeyMYSVPOYYXRTWLF-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-[[2-(2,4-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998432
N-[[2-(2-methylpiperidin-1-yl)cyclobutyl]methyl]ethanamine
CID 81000100
N-[[2-(2,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 81005586
N-[[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 102886942
N-[[2-(2-methylpyrrolidin-1-yl)cyclobutyl]methyl]ethanamine
CID 80998653
N-[[2-(3,5-dimethylpiperidin-1-yl)cyclobutyl]methyl]propan-2-amine
CID 80998052
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)cyclobutyl]methyl]propan-2-amine
CID 80997996
N-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)cyclobutyl]methyl]propan-2-amine
CID 80998125
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
N-[[2-(2-ethylazepan-1-yl)cyclobutyl]methyl]ethanamine
CID 104692327
2-(2-methylpyrrolidin-1-yl)cyclooctan-1-amine
CID 60973336
N-[[2-(3-ethylsulfonylthiomorpholin-4-yl)cyclobutyl]methyl]propan-2-amine
CID 81005411

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine (CID 81005662) is N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine is CC(C)NCC1CCC1N1CCCCCC1C.
What is the InChIKey of N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is MYSVPOYYXRTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)16-11-14-8-9-15(14)17-10-6-4-5-7-13(17)3/h12-16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine?
N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylazepan-1-yl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 81005662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).