(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine

C9H15N3 — CID 143866558

IUPAC(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine
SMILES[H]/N=C1\CCN(CC)C\C1=C\N=C
InChIInChI=1S/C9H15N3/c1-3-12-5-4-9(10)8(7-12)6-11-2/h6,10H,2-5,7H2,1H3/b8-6-,10-9+
InChIKeyDPGFGBPKZNANQZ-JWJWWGMXSA-N
MW165.24 g/mol
LogP1.32
Rot. Bonds2

About (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine

(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine (PubChem CID 143866558) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine
PubChem CID143866558
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine
SMILES[H]/N=C1\CCN(CC)C\C1=C\N=C
InChIInChI=1S/C9H15N3/c1-3-12-5-4-9(10)8(7-12)6-11-2/h6,10H,2-5,7H2,1H3/b8-6-,10-9+
InChIKeyDPGFGBPKZNANQZ-JWJWWGMXSA-N
XLogP1.32
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-Methyl-4-(2,2,2-trifluoroethylimino)piperidin-3-ylidene]methanamine
CID 148303689
1-Ethyl-5-methyl-2,4-dihydropyridin-3-imine
CID 57064772
1-methyl-4-[(2-methyl-3H-pyrrol-4-yl)methyl]piperazine
CID 89311359
1-methyl-3-methylidene-N-prop-1-en-2-ylpiperidin-4-imine
CID 134406810
(Z)-(4-methyliminopiperidin-3-ylidene)methanamine
CID 138571622
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
(4-Tert-butylimino-1-methylpiperidin-3-ylidene)methanamine
CID 144213705
[(Z)-(4-azaniumylidene-1-methylpiperidin-3-ylidene)methyl]-methylazanium
CID 144213729
(1-Methyl-3-methyliminopiperidin-4-ylidene)methanamine
CID 153680262
(1-Iodo-4-methyliminopiperidin-3-ylidene)methanamine
CID 153680263
(1-Methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 154007283

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine?
The IUPAC name of (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine (CID 143866558) is (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine.
What is the SMILES notation for (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine?
The canonical SMILES for (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine is [H]/N=C1\CCN(CC)C\C1=C\N=C.
What is the InChIKey of (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine?
The InChIKey is DPGFGBPKZNANQZ-JWJWWGMXSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-12-5-4-9(10)8(7-12)6-11-2/h6,10H,2-5,7H2,1H3/b8-6-,10-9+.
What are the key properties of (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine?
(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine has a molecular weight of 165.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine is sourced from PubChem (CID 143866558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).