(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine

C12H21N3 — CID 89344683

IUPAC(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine
SMILESC=C/C(=N\C=C(\C)N)N1CCC(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(14-9-11(3)13)15-7-5-10(2)6-8-15/h4,9-10H,1,5-8,13H2,2-3H3/b11-9-,14-12+
InChIKeyXPOPBKZBDRCSBE-ZUJJVJDASA-N
MW207.32 g/mol
LogP2.12
Rot. Bonds2

About (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine

(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine (PubChem CID 89344683) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine
PubChem CID89344683
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine
SMILESC=C/C(=N\C=C(\C)N)N1CCC(C)CC1
InChIInChI=1S/C12H21N3/c1-4-12(14-9-11(3)13)15-7-5-10(2)6-8-15/h4,9-10H,1,5-8,13H2,2-3H3/b11-9-,14-12+
InChIKeyXPOPBKZBDRCSBE-ZUJJVJDASA-N
XLogP2.12
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine (CID 89344683) is (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine is C=C/C(=N\C=C(\C)N)N1CCC(C)CC1.
What is the InChIKey of (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine?
The InChIKey is XPOPBKZBDRCSBE-ZUJJVJDASA-N. The full InChI is InChI=1S/C12H21N3/c1-4-12(14-9-11(3)13)15-7-5-10(2)6-8-15/h4,9-10H,1,5-8,13H2,2-3H3/b11-9-,14-12+.
What are the key properties of (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine?
(Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-(4-methylpiperidin-1-yl)prop-2-enylideneamino]prop-1-en-2-amine is sourced from PubChem (CID 89344683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).