4-(3-methylhexan-2-ylidene)piperidin-3-imine

C12H22N2 — CID 123972348

IUPAC4-(3-methylhexan-2-ylidene)piperidin-3-imine
SMILES[H]/N=C1\CNCCC1=C(C)C(C)CCC
InChIInChI=1S/C12H22N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h9,13-14H,4-8H2,1-3H3/b11-10?,13-12+
InChIKeyLPMPXKMOPMWTGL-VYPADJPSSA-N
MW194.32 g/mol
LogP2.75
Rot. Bonds3

About 4-(3-methylhexan-2-ylidene)piperidin-3-imine

4-(3-methylhexan-2-ylidene)piperidin-3-imine (PubChem CID 123972348) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(3-methylhexan-2-ylidene)piperidin-3-imine.

Molecular Properties

Compound Name4-(3-methylhexan-2-ylidene)piperidin-3-imine
PubChem CID123972348
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(3-methylhexan-2-ylidene)piperidin-3-imine
SMILES[H]/N=C1\CNCCC1=C(C)C(C)CCC
InChIInChI=1S/C12H22N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h9,13-14H,4-8H2,1-3H3/b11-10?,13-12+
InChIKeyLPMPXKMOPMWTGL-VYPADJPSSA-N
XLogP2.75
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
3-(4,4-Difluoropiperidin-3-yl)-4-methylhex-3-en-2-imine
CID 178160345
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
6-Methyl-3-(piperidin-4-ylmethyl)-2,3-dihydropyridine
CID 91582344
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(E)-4-piperidin-3-ylpent-3-en-2-imine
CID 123503371
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
CID 123845307
2-Methyl-1-(1,2,3,6-tetrahydropyridin-5-yl)propan-1-imine
CID 131966479
(Z)-4-imino-3-piperidin-3-ylbut-2-en-2-amine
CID 139358391
(Z)-4-imino-3-piperidin-3-ylpent-2-en-2-amine
CID 139358573
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylhexan-2-ylidene)piperidin-3-imine?
The IUPAC name of 4-(3-methylhexan-2-ylidene)piperidin-3-imine (CID 123972348) is 4-(3-methylhexan-2-ylidene)piperidin-3-imine.
What is the SMILES notation for 4-(3-methylhexan-2-ylidene)piperidin-3-imine?
The canonical SMILES for 4-(3-methylhexan-2-ylidene)piperidin-3-imine is [H]/N=C1\CNCCC1=C(C)C(C)CCC.
What is the InChIKey of 4-(3-methylhexan-2-ylidene)piperidin-3-imine?
The InChIKey is LPMPXKMOPMWTGL-VYPADJPSSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-9(2)10(3)11-6-7-14-8-12(11)13/h9,13-14H,4-8H2,1-3H3/b11-10?,13-12+.
What are the key properties of 4-(3-methylhexan-2-ylidene)piperidin-3-imine?
4-(3-methylhexan-2-ylidene)piperidin-3-imine has a molecular weight of 194.32 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylhexan-2-ylidene)piperidin-3-imine is sourced from PubChem (CID 123972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).