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

C10H20N2 — CID 62049600

IUPAC2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(C)CC1
InChIInChI=1S/C10H20N2/c1-8(2)10(11)12-6-4-9(3)5-7-12/h8-9,11H,4-7H2,1-3H3/b11-10+
InChIKeyRATPEFCIMLZDFI-ZHACJKMWSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds1

About 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine

2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine (PubChem CID 62049600) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine
PubChem CID62049600
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCC(C)CC1
InChIInChI=1S/C10H20N2/c1-8(2)10(11)12-6-4-9(3)5-7-12/h8-9,11H,4-7H2,1-3H3/b11-10+
InChIKeyRATPEFCIMLZDFI-ZHACJKMWSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
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 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine (CID 62049600) is 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine is [H]/N=C(\C(C)C)N1CCC(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine?
The InChIKey is RATPEFCIMLZDFI-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)10(11)12-6-4-9(3)5-7-12/h8-9,11H,4-7H2,1-3H3/b11-10+.
What are the key properties of 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine?
2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 62049600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).