1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine

C15H22N2O — CID 56884981

IUPAC1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1[C@H]2CN(C/C=C/c3ccco3)C[C@@H]12
InChIInChI=1S/C15H22N2O/c1-16(2)9-13-14-10-17(11-15(13)14)7-3-5-12-6-4-8-18-12/h3-6,8,13-15H,7,9-11H2,1-2H3/b5-3+/t13?,14-,15+
InChIKeyVVDJIEIDDSSZJW-JQYOZEIOSA-N
MW246.35 g/mol
LogP2.03
Rot. Bonds5

About 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine

1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine (PubChem CID 56884981) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
PubChem CID56884981
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1[C@H]2CN(C/C=C/c3ccco3)C[C@@H]12
InChIInChI=1S/C15H22N2O/c1-16(2)9-13-14-10-17(11-15(13)14)7-3-5-12-6-4-8-18-12/h3-6,8,13-15H,7,9-11H2,1-2H3/b5-3+/t13?,14-,15+
InChIKeyVVDJIEIDDSSZJW-JQYOZEIOSA-N
XLogP2.03
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

7-[3-(furan-2-yl)prop-2-enyl]-3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 74416993
1-(dimethylamino)-2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-2-ol
CID 45166452
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007
2-(3-chloroprop-1-enyl)furan
CID 54215427
2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95219305
2-[(2R)-4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-[(5-methylfuran-2-yl)methyl]piperazin-2-yl]ethanol
CID 98649458
(4aS,8aR)-1-(2-aminoethyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56906825
N,N-dimethyl-1-[(1S,5R)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 56895117
ethyl 4-[[(2R)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carbonyl]amino]piperidine-1-carboxylate
CID 125165941
2-[4-[(E)-3-(furan-2-yl)prop-2-enyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol
CID 45243783
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine (CID 56884981) is 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine is CN(C)CC1[C@H]2CN(C/C=C/c3ccco3)C[C@@H]12.
What is the InChIKey of 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The InChIKey is VVDJIEIDDSSZJW-JQYOZEIOSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16(2)9-13-14-10-17(11-15(13)14)7-3-5-12-6-4-8-18-12/h3-6,8,13-15H,7,9-11H2,1-2H3/b5-3+/t13?,14-,15+.
What are the key properties of 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-[(E)-3-(furan-2-yl)prop-2-enyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 56884981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).