N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine

C12H22N2 — CID 123416110

IUPACN-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
SMILESC/C=N/C(CC)=C1CCN(CC)CC1
InChIInChI=1S/C12H22N2/c1-4-12(13-5-2)11-7-9-14(6-3)10-8-11/h5H,4,6-10H2,1-3H3/b13-5+
InChIKeyXVJUEBLRYWTOGR-WLRTZDKTSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine

N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine (PubChem CID 123416110) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
PubChem CID123416110
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
SMILESC/C=N/C(CC)=C1CCN(CC)CC1
InChIInChI=1S/C12H22N2/c1-4-12(13-5-2)11-7-9-14(6-3)10-8-11/h5H,4,6-10H2,1-3H3/b13-5+
InChIKeyXVJUEBLRYWTOGR-WLRTZDKTSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-5,6-dipropyl-2H-pyrazine
CID 70010315
(6Z,8E)-6-ethyl-8-piperidin-1-yl-5,10-dihydro-1,4-diazecine
CID 139420142
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
5-Methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium
CID 165392059
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-4-yl)ethanimine
CID 170634493
N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 170635802
N-(4-methyl-1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethanimine
CID 174255875

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine?
The IUPAC name of N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine (CID 123416110) is N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine is C/C=N/C(CC)=C1CCN(CC)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine?
The InChIKey is XVJUEBLRYWTOGR-WLRTZDKTSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-12(13-5-2)11-7-9-14(6-3)10-8-11/h5H,4,6-10H2,1-3H3/b13-5+.
What are the key properties of N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine?
N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine is sourced from PubChem (CID 123416110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).