2-(furan-3-ylmethyl)-2-propan-2-ylazepane

C14H23NO — CID 83183149

IUPAC2-(furan-3-ylmethyl)-2-propan-2-ylazepane
SMILESCC(C)C1(Cc2ccoc2)CCCCCN1
InChIInChI=1S/C14H23NO/c1-12(2)14(7-4-3-5-8-15-14)10-13-6-9-16-11-13/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyPLBLHAKMQUPELB-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.38
Rot. Bonds3

About 2-(furan-3-ylmethyl)-2-propan-2-ylazepane

2-(furan-3-ylmethyl)-2-propan-2-ylazepane (PubChem CID 83183149) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-2-propan-2-ylazepane.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-2-propan-2-ylazepane
PubChem CID83183149
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(furan-3-ylmethyl)-2-propan-2-ylazepane
SMILESCC(C)C1(Cc2ccoc2)CCCCCN1
InChIInChI=1S/C14H23NO/c1-12(2)14(7-4-3-5-8-15-14)10-13-6-9-16-11-13/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3
InChIKeyPLBLHAKMQUPELB-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-2-methylazepane
CID 83182751
2-benzyl-2-propan-2-ylpyrrolidine
CID 66466509
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
2-(2-methylpropyl)-2-propan-2-ylazepane
CID 79119427
2-(furan-3-yl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580591
2-propan-2-yl-2-(2-thiophen-2-ylethyl)azepane
CID 79119111
2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688445
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-[(2-propan-2-ylazetidin-2-yl)methyl]phenol
CID 115058746

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-2-propan-2-ylazepane?
The IUPAC name of 2-(furan-3-ylmethyl)-2-propan-2-ylazepane (CID 83183149) is 2-(furan-3-ylmethyl)-2-propan-2-ylazepane.
What is the SMILES notation for 2-(furan-3-ylmethyl)-2-propan-2-ylazepane?
The canonical SMILES for 2-(furan-3-ylmethyl)-2-propan-2-ylazepane is CC(C)C1(Cc2ccoc2)CCCCCN1.
What is the InChIKey of 2-(furan-3-ylmethyl)-2-propan-2-ylazepane?
The InChIKey is PLBLHAKMQUPELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)14(7-4-3-5-8-15-14)10-13-6-9-16-11-13/h6,9,11-12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-(furan-3-ylmethyl)-2-propan-2-ylazepane?
2-(furan-3-ylmethyl)-2-propan-2-ylazepane has a molecular weight of 221.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-2-propan-2-ylazepane is sourced from PubChem (CID 83183149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).