N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

C15H22N2O — CID 43223346

IUPACN'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1CC2CC=CC21)c1ccco1
InChIInChI=1S/C15H22N2O/c1-17(2)14(15-7-4-8-18-15)10-16-13-9-11-5-3-6-12(11)13/h3-4,6-8,11-14,16H,5,9-10H2,1-2H3
InChIKeyKCTOIYWVUPVLJW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.44
Rot. Bonds5

About N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine

N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (PubChem CID 43223346) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
PubChem CID43223346
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNC1CC2CC=CC21)c1ccco1
InChIInChI=1S/C15H22N2O/c1-17(2)14(15-7-4-8-18-15)10-16-13-9-11-5-3-6-12(11)13/h3-4,6-8,11-14,16H,5,9-10H2,1-2H3
InChIKeyKCTOIYWVUPVLJW-UHFFFAOYSA-N
XLogP2.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81402601
N-(furan-2-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43222580
1-N-(6-bicyclo[3.2.0]hept-3-enyl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43771706
1-(furan-2-yl)-N,N-dimethyl-N'-(2-methylthiolan-3-yl)ethane-1,2-diamine
CID 102671336
1-(furan-2-yl)-N,N-dimethyl-N'-(4-propan-2-ylcyclohexyl)ethane-1,2-diamine
CID 62702659
N'-(2,2-dimethyl-1,3-dioxan-5-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 106658079
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
1-(furan-2-yl)-N'-[1-(furan-2-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 43202373
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
N'-(2,2-dimethylpropyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 61323901
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015

Frequently Asked Questions

What is the IUPAC name of N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine (CID 43223346) is N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNC1CC2CC=CC21)c1ccco1.
What is the InChIKey of N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is KCTOIYWVUPVLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-17(2)14(15-7-4-8-18-15)10-16-13-9-11-5-3-6-12(11)13/h3-4,6-8,11-14,16H,5,9-10H2,1-2H3.
What are the key properties of N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine?
N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-bicyclo[3.2.0]hept-3-enyl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 43223346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).