ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine

C19H36N4 — CID 171069581

IUPACethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine
SMILESCC.CCCN(CCN)CC1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C17H30N4.C2H6/c1-3-9-20(12-8-18)14-16-6-10-21(11-7-16)17-5-4-15(2)13-19-17;1-2/h4-5,13,16H,3,6-12,14,18H2,1-2H3;1-2H3
InChIKeyIJNHRSHDOYKTSW-UHFFFAOYSA-N
MW320.53 g/mol
LogP3.30
Rot. Bonds7

About ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine

ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine (PubChem CID 171069581) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Nameethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine
PubChem CID171069581
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Nameethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine
SMILESCC.CCCN(CCN)CC1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C17H30N4.C2H6/c1-3-9-20(12-8-18)14-16-6-10-21(11-7-16)17-5-4-15(2)13-19-17;1-2/h4-5,13,16H,3,6-12,14,18H2,1-2H3;1-2H3
InChIKeyIJNHRSHDOYKTSW-UHFFFAOYSA-N
XLogP3.30
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine?
The IUPAC name of ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine (CID 171069581) is ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine?
The canonical SMILES for ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine is CC.CCCN(CCN)CC1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine?
The InChIKey is IJNHRSHDOYKTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4.C2H6/c1-3-9-20(12-8-18)14-16-6-10-21(11-7-16)17-5-4-15(2)13-19-17;1-2/h4-5,13,16H,3,6-12,14,18H2,1-2H3;1-2H3.
What are the key properties of ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine?
ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine has a molecular weight of 320.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 171069581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).