1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

C14H20N4O — CID 66142235

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1cncn1C1CC1
InChIInChI=1S/C14H20N4O/c1-17(8-11-4-5-19-9-11)13(6-15)14-7-16-10-18(14)12-2-3-12/h4-5,7,9-10,12-13H,2-3,6,8,15H2,1H3
InChIKeySTCWHIGFEXKNRV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.94
Rot. Bonds6

About 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine

1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (PubChem CID 66142235) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
PubChem CID66142235
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
SMILESCN(Cc1ccoc1)C(CN)c1cncn1C1CC1
InChIInChI=1S/C14H20N4O/c1-17(8-11-4-5-19-9-11)13(6-15)14-7-16-10-18(14)12-2-3-12/h4-5,7,9-10,12-13H,2-3,6,8,15H2,1H3
InChIKeySTCWHIGFEXKNRV-UHFFFAOYSA-N
XLogP1.94
TPSA60.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 66142234
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658268
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
1-(4-cyclopropylphenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 79984790
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 66140814
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 66140417
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine (CID 66142235) is 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is CN(Cc1ccoc1)C(CN)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
The InChIKey is STCWHIGFEXKNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(8-11-4-5-19-9-11)13(6-15)14-7-16-10-18(14)12-2-3-12/h4-5,7,9-10,12-13H,2-3,6,8,15H2,1H3.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66142235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).