(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine

C9H17N3 — CID 168977628

IUPAC(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESCCN1CCC(=N\C)/C(=C\N)C1
InChIInChI=1S/C9H17N3/c1-3-12-5-4-9(11-2)8(6-10)7-12/h6H,3-5,7,10H2,1-2H3/b8-6-,11-9+
InChIKeyUOFSXISTBFMRNA-ZOEDNYEGSA-N
MW167.26 g/mol
LogP0.63
Rot. Bonds1

About (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine

(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine (PubChem CID 168977628) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine.

Molecular Properties

Compound Name(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine
PubChem CID168977628
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESCCN1CCC(=N\C)/C(=C\N)C1
InChIInChI=1S/C9H17N3/c1-3-12-5-4-9(11-2)8(6-10)7-12/h6H,3-5,7,10H2,1-2H3/b8-6-,11-9+
InChIKeyUOFSXISTBFMRNA-ZOEDNYEGSA-N
XLogP0.63
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.63
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
5-Methyl-1-(2-methylpropyl)-2,4-dihydropyridin-3-imine
CID 56616930
1,5-Diethyl-2,4-dihydropyridin-3-imine
CID 56635574
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;3-methyl-6,7,8,9-tetrahydro-4H-pyrido[4,3-b]azepine
CID 141929412
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162029
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
CID 142162053
ethane;N-[(Z)-2-methylpent-1-enyl]-1-(4-methylpiperazin-2-yl)ethanimine
CID 142382887
(3Z)-1-ethyl-3-[(methylideneamino)methylidene]piperidin-4-imine
CID 143866558

Frequently Asked Questions

What is the IUPAC name of (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine?
The IUPAC name of (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine (CID 168977628) is (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine.
What is the SMILES notation for (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine?
The canonical SMILES for (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine is CCN1CCC(=N\C)/C(=C\N)C1.
What is the InChIKey of (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine?
The InChIKey is UOFSXISTBFMRNA-ZOEDNYEGSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-12-5-4-9(11-2)8(6-10)7-12/h6H,3-5,7,10H2,1-2H3/b8-6-,11-9+.
What are the key properties of (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine?
(Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine has a molecular weight of 167.26 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(1-ethyl-4-methyliminopiperidin-3-ylidene)methanamine is sourced from PubChem (CID 168977628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).