1-(4-methylpiperidin-1-yl)propan-1-imine

C9H18N2 — CID 20637100

IUPAC1-(4-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(C)CC1
InChIInChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyCBJPTLCUTYLNDH-MDZDMXLPSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds1

About 1-(4-methylpiperidin-1-yl)propan-1-imine

1-(4-methylpiperidin-1-yl)propan-1-imine (PubChem CID 20637100) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)propan-1-imine
PubChem CID20637100
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-(4-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(C)CC1
InChIInChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h8,10H,3-7H2,1-2H3/b10-9+
InChIKeyCBJPTLCUTYLNDH-MDZDMXLPSA-N
XLogP2.11
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-methylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 1-(4-methylpiperidin-1-yl)propan-1-imine (CID 20637100) is 1-(4-methylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCC(C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)propan-1-imine?
The InChIKey is CBJPTLCUTYLNDH-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(10)11-6-4-8(2)5-7-11/h8,10H,3-7H2,1-2H3/b10-9+.
What are the key properties of 1-(4-methylpiperidin-1-yl)propan-1-imine?
1-(4-methylpiperidin-1-yl)propan-1-imine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 20637100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).