[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine

C14H24N2O — CID 65286568

IUPAC[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
SMILESCC1(C)CCCN(Cc2occc2CN)CC1
InChIInChI=1S/C14H24N2O/c1-14(2)5-3-7-16(8-6-14)11-13-12(10-15)4-9-17-13/h4,9H,3,5-8,10-11,15H2,1-2H3
InChIKeySCTWWPROOFPEOU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.75
Rot. Bonds3

About [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine

[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine (PubChem CID 65286568) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
PubChem CID65286568
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine
SMILESCC1(C)CCCN(Cc2occc2CN)CC1
InChIInChI=1S/C14H24N2O/c1-14(2)5-3-7-16(8-6-14)11-13-12(10-15)4-9-17-13/h4,9H,3,5-8,10-11,15H2,1-2H3
InChIKeySCTWWPROOFPEOU-UHFFFAOYSA-N
XLogP2.75
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine (CID 65286568) is [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine is CC1(C)CCCN(Cc2occc2CN)CC1.
What is the InChIKey of [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine?
The InChIKey is SCTWWPROOFPEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)5-3-7-16(8-6-14)11-13-12(10-15)4-9-17-13/h4,9H,3,5-8,10-11,15H2,1-2H3.
What are the key properties of [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine?
[2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4,4-dimethylazepan-1-yl)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 65286568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).