2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine

C14H26N2O — CID 102651808

IUPAC2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
SMILESCC(C)(C(N)C1=CCCO1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-14(2,13(15)12-8-7-11-17-12)16-9-5-3-4-6-10-16/h8,13H,3-7,9-11,15H2,1-2H3
InChIKeyLJJSTVUCQMDURN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.27
Rot. Bonds3

About 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine

2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine (PubChem CID 102651808) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
PubChem CID102651808
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine
SMILESCC(C)(C(N)C1=CCCO1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-14(2,13(15)12-8-7-11-17-12)16-9-5-3-4-6-10-16/h8,13H,3-7,9-11,15H2,1-2H3
InChIKeyLJJSTVUCQMDURN-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 102647687
[1-(2,3-dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropyl]hydrazine
CID 102654218
[1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropyl]hydrazine
CID 102650042
1-(2,3-dihydrofuran-5-yl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 102651812
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-yl-N-propylpropan-1-amine
CID 102647694
1-(2,3-dihydrofuran-5-yl)-2-ethoxy-2-methylpropan-1-amine
CID 102652221
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine (CID 102651808) is 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine is CC(C)(C(N)C1=CCCO1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine?
The InChIKey is LJJSTVUCQMDURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,13(15)12-8-7-11-17-12)16-9-5-3-4-6-10-16/h8,13H,3-7,9-11,15H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine?
2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2,3-dihydrofuran-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 102651808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).