N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine

C19H30N4O2 — CID 43818360

IUPACN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ccnn2C2CCCCO2)o1
InChIInChI=1S/C19H30N4O2/c1-16-7-8-18(25-16)15-22(12-11-21(2)3)14-17-9-10-20-23(17)19-6-4-5-13-24-19/h7-10,19H,4-6,11-15H2,1-3H3
InChIKeyAGRVNFRQPIUPCS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.05
Rot. Bonds8

About N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine (PubChem CID 43818360) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
PubChem CID43818360
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine
SMILESCc1ccc(CN(CCN(C)C)Cc2ccnn2C2CCCCO2)o1
InChIInChI=1S/C19H30N4O2/c1-16-7-8-18(25-16)15-22(12-11-21(2)3)14-17-9-10-20-23(17)19-6-4-5-13-24-19/h7-10,19H,4-6,11-15H2,1-3H3
InChIKeyAGRVNFRQPIUPCS-UHFFFAOYSA-N
XLogP3.05
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine (CID 43818360) is N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine is Cc1ccc(CN(CCN(C)C)Cc2ccnn2C2CCCCO2)o1.
What is the InChIKey of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
The InChIKey is AGRVNFRQPIUPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16-7-8-18(25-16)15-22(12-11-21(2)3)14-17-9-10-20-23(17)19-6-4-5-13-24-19/h7-10,19H,4-6,11-15H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine has a molecular weight of 346.48 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 43818360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).