(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine

C9H17N3 — CID 166120437

IUPAC(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine
SMILES[H]/N=C(\C=C/N)N1CCC(C)CC1
InChIInChI=1S/C9H17N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,5,8,11H,3-4,6-7,10H2,1H3/b5-2-,11-9+
InChIKeyBVNKHSJZLYGLSV-ZYTPMUACSA-N
MW167.26 g/mol
LogP1.17
Rot. Bonds1

About (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine

(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine (PubChem CID 166120437) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine
PubChem CID166120437
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine
SMILES[H]/N=C(\C=C/N)N1CCC(C)CC1
InChIInChI=1S/C9H17N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,5,8,11H,3-4,6-7,10H2,1H3/b5-2-,11-9+
InChIKeyBVNKHSJZLYGLSV-ZYTPMUACSA-N
XLogP1.17
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
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)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine?
The IUPAC name of (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine (CID 166120437) is (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine?
The canonical SMILES for (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine is [H]/N=C(\C=C/N)N1CCC(C)CC1.
What is the InChIKey of (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine?
The InChIKey is BVNKHSJZLYGLSV-ZYTPMUACSA-N. The full InChI is InChI=1S/C9H17N3/c1-8-3-6-12(7-4-8)9(11)2-5-10/h2,5,8,11H,3-4,6-7,10H2,1H3/b5-2-,11-9+.
What are the key properties of (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine?
(Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-imino-3-(4-methylpiperidin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 166120437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).