1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine

C16H26N2 — CID 71214485

IUPAC1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\C1C(C)CC1C=C1CCN(C)CC1
InChIInChI=1S/C16H26N2/c1-4-7-17-12-16-13(2)10-15(16)11-14-5-8-18(3)9-6-14/h4,7,11-13,15-16H,5-6,8-10H2,1-3H3/b7-4-,17-12+
InChIKeyNKDFFUCTFNVCQS-LUJAEEAZSA-N
MW246.40 g/mol
LogP3.52
Rot. Bonds3

About 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine

1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine (PubChem CID 71214485) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Name1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine
PubChem CID71214485
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\C1C(C)CC1C=C1CCN(C)CC1
InChIInChI=1S/C16H26N2/c1-4-7-17-12-16-13(2)10-15(16)11-14-5-8-18(3)9-6-14/h4,7,11-13,15-16H,5-6,8-10H2,1-3H3/b7-4-,17-12+
InChIKeyNKDFFUCTFNVCQS-LUJAEEAZSA-N
XLogP3.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine (CID 71214485) is 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine is C/C=C\N=C\C1C(C)CC1C=C1CCN(C)CC1.
What is the InChIKey of 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is NKDFFUCTFNVCQS-LUJAEEAZSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-7-17-12-16-13(2)10-15(16)11-14-5-8-18(3)9-6-14/h4,7,11-13,15-16H,5-6,8-10H2,1-3H3/b7-4-,17-12+.
What are the key properties of 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine?
1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 246.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-[(1-methylpiperidin-4-ylidene)methyl]cyclobutyl]-N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 71214485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).