1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine

C13H23N3 — CID 123199265

IUPAC1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C1/C=CC(N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3,5,12-14H,4,6-10H2,1-2H3/b14-11-
InChIKeyBQIPQICWKMWBAH-KAMYIIQDSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine

1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine (PubChem CID 123199265) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
PubChem CID123199265
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C1/C=CC(N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3,5,12-14H,4,6-10H2,1-2H3/b14-11-
InChIKeyBQIPQICWKMWBAH-KAMYIIQDSA-N
XLogP1.75
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
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 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine (CID 123199265) is 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine is [H]/N=C1/C=CC(N2CCC(N(C)C)CC2)CC1.
What is the InChIKey of 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is BQIPQICWKMWBAH-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H23N3/c1-15(2)12-7-9-16(10-8-12)13-5-3-11(14)4-6-13/h3,5,12-14H,4,6-10H2,1-2H3/b14-11-.
What are the key properties of 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine?
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 123199265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).