1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine

C16H24N4O — CID 43254622

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CNC1CCCc2c1cnn2C)c1ccco1
InChIInChI=1S/C16H24N4O/c1-19(2)15(16-8-5-9-21-16)11-17-13-6-4-7-14-12(13)10-18-20(14)3/h5,8-10,13,15,17H,4,6-7,11H2,1-3H3
InChIKeyZTBKEJXKLQPTNX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.28
Rot. Bonds5

About 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine (PubChem CID 43254622) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine
PubChem CID43254622
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine
SMILESCN(C)C(CNC1CCCc2c1cnn2C)c1ccco1
InChIInChI=1S/C16H24N4O/c1-19(2)15(16-8-5-9-21-16)11-17-13-6-4-7-14-12(13)10-18-20(14)3/h5,8-10,13,15,17H,4,6-7,11H2,1-3H3
InChIKeyZTBKEJXKLQPTNX-UHFFFAOYSA-N
XLogP2.28
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine with MolForge

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pentane-1,2-diamine
CID 43254686
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
(3R)-2,2-dimethyl-4-[[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]amino]-3-phenylbutan-1-ol
CID 97107041
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N'-(3,4-dihydro-2H-chromen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43202404
N'-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 81251400
2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62632545
1-methyl-N-[(2-methylcyclopropyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 115694381
N-[(4-bromophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435391
2-methyl-5-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 103905391
N-[(5-bromofuran-2-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727339

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine (CID 43254622) is 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine is CN(C)C(CNC1CCCc2c1cnn2C)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine?
The InChIKey is ZTBKEJXKLQPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)15(16-8-5-9-21-16)11-17-13-6-4-7-14-12(13)10-18-20(14)3/h5,8-10,13,15,17H,4,6-7,11H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43254622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).