1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine

C11H21N3 — CID 144863043

IUPAC1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(\C=C/C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H21N3/c1-4-5-11(12)14-8-6-10(7-9-14)13(2)3/h4-5,10,12H,6-9H2,1-3H3/b5-4-,12-11+
InChIKeyDHDUGTWRIXCAGN-LKYDAOQMSA-N
MW195.31 g/mol
LogP1.57
Rot. Bonds2

About 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine

1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 144863043) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine
PubChem CID144863043
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(\C=C/C)N1CCC(N(C)C)CC1
InChIInChI=1S/C11H21N3/c1-4-5-11(12)14-8-6-10(7-9-14)13(2)3/h4-5,10,12H,6-9H2,1-3H3/b5-4-,12-11+
InChIKeyDHDUGTWRIXCAGN-LKYDAOQMSA-N
XLogP1.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.57
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 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine (CID 144863043) is 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine is [H]/N=C(\C=C/C)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is DHDUGTWRIXCAGN-LKYDAOQMSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-5-11(12)14-8-6-10(7-9-14)13(2)3/h4-5,10,12H,6-9H2,1-3H3/b5-4-,12-11+.
What are the key properties of 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine?
1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 195.31 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 144863043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).