N-(1-piperidin-4-ylidenebutyl)propan-2-imine

C12H22N2 — CID 123598376

IUPACN-(1-piperidin-4-ylidenebutyl)propan-2-imine
SMILESCCCC(N=C(C)C)=C1CCNCC1
InChIInChI=1S/C12H22N2/c1-4-5-12(14-10(2)3)11-6-8-13-9-7-11/h13H,4-9H2,1-3H3
InChIKeySVSONRBSKRFPPR-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.90
Rot. Bonds3

About N-(1-piperidin-4-ylidenebutyl)propan-2-imine

N-(1-piperidin-4-ylidenebutyl)propan-2-imine (PubChem CID 123598376) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(1-piperidin-4-ylidenebutyl)propan-2-imine.

Molecular Properties

Compound NameN-(1-piperidin-4-ylidenebutyl)propan-2-imine
PubChem CID123598376
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(1-piperidin-4-ylidenebutyl)propan-2-imine
SMILESCCCC(N=C(C)C)=C1CCNCC1
InChIInChI=1S/C12H22N2/c1-4-5-12(14-10(2)3)11-6-8-13-9-7-11/h13H,4-9H2,1-3H3
InChIKeySVSONRBSKRFPPR-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-piperidin-4-ylidenebutyl)propan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3'-Bipyridine, 1',3,4,4',5,5',6,6'-octahydro-
CID 5373887
5-piperidin-2-ylidene-3,4-dihydro-2H-pyridine
CID 87404
4-(4,5-dimethyl-3H-pyrrol-2-yl)piperidine
CID 58578279
(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 88278220
3-methyl-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyrazine
CID 89428744
N-(1-piperidin-4-ylidenepropyl)hexan-2-imine
CID 91508186
1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
CID 118119679
(E)-1-N,1-N,5-N,4-tetramethyl-3-methyliminohex-4-ene-1,5-diamine
CID 134567684
Ethane;3-piperidin-4-ylidenebutan-2-imine
CID 142142788
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
5-Butanimidoyl-1,2,3,6-tetrahydropyridin-4-amine
CID 145187939
ethane;(1Z)-1-(4-iminopiperidin-3-ylidene)ethanamine
CID 145551937

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-4-ylidenebutyl)propan-2-imine?
The IUPAC name of N-(1-piperidin-4-ylidenebutyl)propan-2-imine (CID 123598376) is N-(1-piperidin-4-ylidenebutyl)propan-2-imine.
What is the SMILES notation for N-(1-piperidin-4-ylidenebutyl)propan-2-imine?
The canonical SMILES for N-(1-piperidin-4-ylidenebutyl)propan-2-imine is CCCC(N=C(C)C)=C1CCNCC1.
What is the InChIKey of N-(1-piperidin-4-ylidenebutyl)propan-2-imine?
The InChIKey is SVSONRBSKRFPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-5-12(14-10(2)3)11-6-8-13-9-7-11/h13H,4-9H2,1-3H3.
What are the key properties of N-(1-piperidin-4-ylidenebutyl)propan-2-imine?
N-(1-piperidin-4-ylidenebutyl)propan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-4-ylidenebutyl)propan-2-imine is sourced from PubChem (CID 123598376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).