ethane;3-piperidin-4-ylidenebutan-2-imine

C11H22N2 — CID 142142788

IUPACethane;3-piperidin-4-ylidenebutan-2-imine
SMILESCC.[H]/N=C(\C)C(C)=C1CCNCC1
InChIInChI=1S/C9H16N2.C2H6/c1-7(8(2)10)9-3-5-11-6-4-9;1-2/h10-11H,3-6H2,1-2H3;1-2H3/b10-8+;
InChIKeyLXMGQYYMHLNKFH-VRTOBVRTSA-N
MW182.31 g/mol
LogP2.75
Rot. Bonds1

About ethane;3-piperidin-4-ylidenebutan-2-imine

ethane;3-piperidin-4-ylidenebutan-2-imine (PubChem CID 142142788) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;3-piperidin-4-ylidenebutan-2-imine.

Molecular Properties

Compound Nameethane;3-piperidin-4-ylidenebutan-2-imine
PubChem CID142142788
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;3-piperidin-4-ylidenebutan-2-imine
SMILESCC.[H]/N=C(\C)C(C)=C1CCNCC1
InChIInChI=1S/C9H16N2.C2H6/c1-7(8(2)10)9-3-5-11-6-4-9;1-2/h10-11H,3-6H2,1-2H3;1-2H3/b10-8+;
InChIKeyLXMGQYYMHLNKFH-VRTOBVRTSA-N
XLogP2.75
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
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

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(3E)-3-(1-fluoropropylidene)-N,2-dimethylpiperidin-4-imine
CID 177021763
(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 88278220
2-(3,5-dimethyl-2H-pyrrol-4-yl)-N-methylethanamine
CID 90161353
2,3,5,6,7,8-Hexahydro-1,7-naphthyridine
CID 90960597
N-(1-piperidin-4-ylidenepropyl)hexan-2-imine
CID 91508186
(E)-4-piperidin-4-ylpent-3-en-2-imine
CID 123268672
(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
(4Z)-4-ethylidene-N-methylpiperidin-3-imine
CID 123514205
N-(1-piperidin-4-ylidenebutyl)propan-2-imine
CID 123598376
1-(5-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethanimine
CID 123958867
4-(3-Methylhexan-2-ylidene)piperidin-3-imine
CID 123972348

Frequently Asked Questions

What is the IUPAC name of ethane;3-piperidin-4-ylidenebutan-2-imine?
The IUPAC name of ethane;3-piperidin-4-ylidenebutan-2-imine (CID 142142788) is ethane;3-piperidin-4-ylidenebutan-2-imine.
What is the SMILES notation for ethane;3-piperidin-4-ylidenebutan-2-imine?
The canonical SMILES for ethane;3-piperidin-4-ylidenebutan-2-imine is CC.[H]/N=C(\C)C(C)=C1CCNCC1.
What is the InChIKey of ethane;3-piperidin-4-ylidenebutan-2-imine?
The InChIKey is LXMGQYYMHLNKFH-VRTOBVRTSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-7(8(2)10)9-3-5-11-6-4-9;1-2/h10-11H,3-6H2,1-2H3;1-2H3/b10-8+;.
What are the key properties of ethane;3-piperidin-4-ylidenebutan-2-imine?
ethane;3-piperidin-4-ylidenebutan-2-imine has a molecular weight of 182.31 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-piperidin-4-ylidenebutan-2-imine is sourced from PubChem (CID 142142788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).