(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine

C10H19N3 — CID 139358974

IUPAC(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CC(C)CNC1C
InChIInChI=1S/C10H19N3/c1-7-3-10(8(2)13-6-7)9(4-11)5-12/h4-5,7-8,10-11,13H,3,6,12H2,1-2H3/b9-5+,11-4+
InChIKeyKMYGTGAEFZBDEY-IZRNULKBSA-N
MW181.28 g/mol
LogP1.11
Rot. Bonds2

About (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine

(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine (PubChem CID 139358974) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
PubChem CID139358974
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CC(C)CNC1C
InChIInChI=1S/C10H19N3/c1-7-3-10(8(2)13-6-7)9(4-11)5-12/h4-5,7-8,10-11,13H,3,6,12H2,1-2H3/b9-5+,11-4+
InChIKeyKMYGTGAEFZBDEY-IZRNULKBSA-N
XLogP1.11
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine (CID 139358974) is (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CC(C)CNC1C.
What is the InChIKey of (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
The InChIKey is KMYGTGAEFZBDEY-IZRNULKBSA-N. The full InChI is InChI=1S/C10H19N3/c1-7-3-10(8(2)13-6-7)9(4-11)5-12/h4-5,7-8,10-11,13H,3,6,12H2,1-2H3/b9-5+,11-4+.
What are the key properties of (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine?
(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 139358974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).