1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine

C17H24N2O2 — CID 43181132

IUPAC1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine
SMILESCC1CC1c1ccc(CNCC(c2ccco2)N(C)C)o1
InChIInChI=1S/C17H24N2O2/c1-12-9-14(12)16-7-6-13(21-16)10-18-11-15(19(2)3)17-5-4-8-20-17/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKeySJHZGHYDJILAES-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.39
Rot. Bonds7

About 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine

1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 43181132) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine
PubChem CID43181132
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine
SMILESCC1CC1c1ccc(CNCC(c2ccco2)N(C)C)o1
InChIInChI=1S/C17H24N2O2/c1-12-9-14(12)16-7-6-13(21-16)10-18-11-15(19(2)3)17-5-4-8-20-17/h4-8,12,14-15,18H,9-11H2,1-3H3
InChIKeySJHZGHYDJILAES-UHFFFAOYSA-N
XLogP3.39
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine (CID 43181132) is 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine is CC1CC1c1ccc(CNCC(c2ccco2)N(C)C)o1.
What is the InChIKey of 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is SJHZGHYDJILAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-9-14(12)16-7-6-13(21-16)10-18-11-15(19(2)3)17-5-4-8-20-17/h4-8,12,14-15,18H,9-11H2,1-3H3.
What are the key properties of 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine?
1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N,N-dimethyl-N'-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 43181132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).