1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine

C13H25N3 — CID 91253266

IUPAC1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine
SMILES[H]/N=C(\C)C/N=C(\CC)N1CCC(C)CC1C
InChIInChI=1S/C13H25N3/c1-5-13(15-9-11(3)14)16-7-6-10(2)8-12(16)4/h10,12,14H,5-9H2,1-4H3/b14-11+,15-13+
InChIKeyAEIHRMMUHOIKSK-KFWRFBQVSA-N
MW223.36 g/mol
LogP2.95
Rot. Bonds3

About 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine

1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine (PubChem CID 91253266) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine.

Molecular Properties

Compound Name1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine
PubChem CID91253266
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine
SMILES[H]/N=C(\C)C/N=C(\CC)N1CCC(C)CC1C
InChIInChI=1S/C13H25N3/c1-5-13(15-9-11(3)14)16-7-6-10(2)8-12(16)4/h10,12,14H,5-9H2,1-4H3/b14-11+,15-13+
InChIKeyAEIHRMMUHOIKSK-KFWRFBQVSA-N
XLogP2.95
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.95
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-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine?
The IUPAC name of 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine (CID 91253266) is 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine.
What is the SMILES notation for 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine?
The canonical SMILES for 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine is [H]/N=C(\C)C/N=C(\CC)N1CCC(C)CC1C.
What is the InChIKey of 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine?
The InChIKey is AEIHRMMUHOIKSK-KFWRFBQVSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(15-9-11(3)14)16-7-6-10(2)8-12(16)4/h10,12,14H,5-9H2,1-4H3/b14-11+,15-13+.
What are the key properties of 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine?
1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine has a molecular weight of 223.36 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperidin-1-yl)-N-(2-iminopropyl)propan-1-imine is sourced from PubChem (CID 91253266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).