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

C17H24N2O2 — CID 43526188

IUPACN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(C3CC3C)o2)o1
InChIInChI=1S/C17H24N2O2/c1-11-8-14(11)16-6-7-17(21-16)15(9-18)19(3)10-13-5-4-12(2)20-13/h4-7,11,14-15H,8-10,18H2,1-3H3
InChIKeyDFBXHIHQCKLGKQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.44
Rot. Bonds6

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

N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (PubChem CID 43526188) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
PubChem CID43526188
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2ccc(C3CC3C)o2)o1
InChIInChI=1S/C17H24N2O2/c1-11-8-14(11)16-6-7-17(21-16)15(9-18)19(3)10-13-5-4-12(2)20-13/h4-7,11,14-15H,8-10,18H2,1-3H3
InChIKeyDFBXHIHQCKLGKQ-UHFFFAOYSA-N
XLogP3.44
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine (CID 43526188) is N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is Cc1ccc(CN(C)C(CN)c2ccc(C3CC3C)o2)o1.
What is the InChIKey of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is DFBXHIHQCKLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11-8-14(11)16-6-7-17(21-16)15(9-18)19(3)10-13-5-4-12(2)20-13/h4-7,11,14-15H,8-10,18H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine?
N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 43526188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).