(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine

C17H30N4 — CID 118548999

IUPAC(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine
SMILESCC1=CNCC(/C(=C/NC2CCN(C(C)C)CC2)CN)=C1
InChIInChI=1S/C17H30N4/c1-13(2)21-6-4-17(5-7-21)20-12-16(9-18)15-8-14(3)10-19-11-15/h8,10,12-13,17,19-20H,4-7,9,11,18H2,1-3H3/b16-12+
InChIKeyXQNIZJBXZCDQKY-FOWTUZBSSA-N
MW290.45 g/mol
LogP1.72
Rot. Bonds5

About (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine

(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine (PubChem CID 118548999) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine
PubChem CID118548999
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine
SMILESCC1=CNCC(/C(=C/NC2CCN(C(C)C)CC2)CN)=C1
InChIInChI=1S/C17H30N4/c1-13(2)21-6-4-17(5-7-21)20-12-16(9-18)15-8-14(3)10-19-11-15/h8,10,12-13,17,19-20H,4-7,9,11,18H2,1-3H3/b16-12+
InChIKeyXQNIZJBXZCDQKY-FOWTUZBSSA-N
XLogP1.72
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine (CID 118548999) is (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine is CC1=CNCC(/C(=C/NC2CCN(C(C)C)CC2)CN)=C1.
What is the InChIKey of (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine?
The InChIKey is XQNIZJBXZCDQKY-FOWTUZBSSA-N. The full InChI is InChI=1S/C17H30N4/c1-13(2)21-6-4-17(5-7-21)20-12-16(9-18)15-8-14(3)10-19-11-15/h8,10,12-13,17,19-20H,4-7,9,11,18H2,1-3H3/b16-12+.
What are the key properties of (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine?
(Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-methyl-1,2-dihydropyridin-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 118548999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).