1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine

C14H24N4 — CID 143564646

IUPAC1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine
SMILESC=N/C(=C\C=C/C)N1CCC(NC(=C)NC)CC1
InChIInChI=1S/C14H24N4/c1-5-6-7-14(16-4)18-10-8-13(9-11-18)17-12(2)15-3/h5-7,13,15,17H,2,4,8-11H2,1,3H3/b6-5-,14-7+
InChIKeyFEOAOGXQFNHENA-NTBKVEBNSA-N
MW248.37 g/mol
LogP1.85
Rot. Bonds6

About 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine

1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine (PubChem CID 143564646) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine
PubChem CID143564646
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine
SMILESC=N/C(=C\C=C/C)N1CCC(NC(=C)NC)CC1
InChIInChI=1S/C14H24N4/c1-5-6-7-14(16-4)18-10-8-13(9-11-18)17-12(2)15-3/h5-7,13,15,17H,2,4,8-11H2,1,3H3/b6-5-,14-7+
InChIKeyFEOAOGXQFNHENA-NTBKVEBNSA-N
XLogP1.85
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine (CID 143564646) is 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine is C=N/C(=C\C=C/C)N1CCC(NC(=C)NC)CC1.
What is the InChIKey of 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine?
The InChIKey is FEOAOGXQFNHENA-NTBKVEBNSA-N. The full InChI is InChI=1S/C14H24N4/c1-5-6-7-14(16-4)18-10-8-13(9-11-18)17-12(2)15-3/h5-7,13,15,17H,2,4,8-11H2,1,3H3/b6-5-,14-7+.
What are the key properties of 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine?
1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-[1-[(1Z,3Z)-1-(methylideneamino)penta-1,3-dienyl]piperidin-4-yl]ethene-1,1-diamine is sourced from PubChem (CID 143564646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).