ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine

C12H23N3 — CID 171523504

IUPACethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
SMILESCC.[H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H]
InChIInChI=1S/C10H17N3.C2H6/c1-3-13-5-4-10(12)9(7-13)6-8(2)11;1-2/h6,11-12H,3-5,7H2,1-2H3;1-2H3/b9-6-,11-8+,12-10+;
InChIKeyUWZPZFLZKYKUQC-MNJLTXIASA-N
MW209.34 g/mol
LogP2.72
Rot. Bonds2

About ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine

ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine (PubChem CID 171523504) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine.

Molecular Properties

Compound Nameethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
PubChem CID171523504
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
SMILESCC.[H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H]
InChIInChI=1S/C10H17N3.C2H6/c1-3-13-5-4-10(12)9(7-13)6-8(2)11;1-2/h6,11-12H,3-5,7H2,1-2H3;1-2H3/b9-6-,11-8+,12-10+;
InChIKeyUWZPZFLZKYKUQC-MNJLTXIASA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(4E,7E)-7-(difluoromethyl)-N-(1-fluoropropyl)-3-imino-N,4-dimethylnona-4,7-dien-1-amine
CID 173989793
(Z)-5,5,5-trifluoro-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pent-2-ene-1,4-diimine
CID 144984119
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
6-Propan-2-yl-2,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 57531003
(NE)-N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630952
N-[1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propylidene]hydroxylamine
CID 88630953
5-Methyl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 90326755
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The IUPAC name of ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine (CID 171523504) is ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine.
What is the SMILES notation for ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The canonical SMILES for ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine is CC.[H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H].
What is the InChIKey of ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The InChIKey is UWZPZFLZKYKUQC-MNJLTXIASA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-3-13-5-4-10(12)9(7-13)6-8(2)11;1-2/h6,11-12H,3-5,7H2,1-2H3;1-2H3/b9-6-,11-8+,12-10+;.
What are the key properties of ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine has a molecular weight of 209.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine is sourced from PubChem (CID 171523504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).