N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine

C19H30N4O2 — CID 46954432

IUPACN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
SMILESCN(C)CCCN(Cc1ccco1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H30N4O2/c1-21(2)11-6-12-22(16-18-7-5-14-24-18)15-17-9-10-20-23(17)19-8-3-4-13-25-19/h5,7,9-10,14,19H,3-4,6,8,11-13,15-16H2,1-2H3
InChIKeyDAIQPRUHJKSSOR-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.13
Rot. Bonds9

About N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine

N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine (PubChem CID 46954432) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
PubChem CID46954432
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine
SMILESCN(C)CCCN(Cc1ccco1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H30N4O2/c1-21(2)11-6-12-22(16-18-7-5-14-24-18)15-17-9-10-20-23(17)19-8-3-4-13-25-19/h5,7,9-10,14,19H,3-4,6,8,11-13,15-16H2,1-2H3
InChIKeyDAIQPRUHJKSSOR-UHFFFAOYSA-N
XLogP3.13
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine?
The IUPAC name of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine (CID 46954432) is N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine?
The canonical SMILES for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine is CN(C)CCCN(Cc1ccco1)Cc1ccnn1C1CCCCO1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine?
The InChIKey is DAIQPRUHJKSSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-21(2)11-6-12-22(16-18-7-5-14-24-18)15-17-9-10-20-23(17)19-8-3-4-13-25-19/h5,7,9-10,14,19H,3-4,6,8,11-13,15-16H2,1-2H3.
What are the key properties of N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine?
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine has a molecular weight of 346.47 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]propane-1,3-diamine is sourced from PubChem (CID 46954432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).