ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine

C12H27N3 — CID 142162029

IUPACethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESC/N=C1\CCN(C)C\C1=C\N.CC.CC
InChIInChI=1S/C8H15N3.2C2H6/c1-10-8-3-4-11(2)6-7(8)5-9;2*1-2/h5H,3-4,6,9H2,1-2H3;2*1-2H3/b7-5-,10-8+;;
InChIKeyWFBZWGZMJMNHTQ-RTZYNNLGSA-N
MW213.37 g/mol
LogP2.29
Rot. Bonds

About ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine

ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine (PubChem CID 142162029) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine.

Molecular Properties

Compound Nameethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
PubChem CID142162029
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Nameethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine
SMILESC/N=C1\CCN(C)C\C1=C\N.CC.CC
InChIInChI=1S/C8H15N3.2C2H6/c1-10-8-3-4-11(2)6-7(8)5-9;2*1-2/h5H,3-4,6,9H2,1-2H3;2*1-2H3/b7-5-,10-8+;;
InChIKeyWFBZWGZMJMNHTQ-RTZYNNLGSA-N
XLogP2.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.29
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 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
(4-Tert-butylimino-1-methylpiperidin-3-ylidene)methanamine
CID 144213705

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The IUPAC name of ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine (CID 142162029) is ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine.
What is the SMILES notation for ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The canonical SMILES for ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine is C/N=C1\CCN(C)C\C1=C\N.CC.CC.
What is the InChIKey of ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
The InChIKey is WFBZWGZMJMNHTQ-RTZYNNLGSA-N. The full InChI is InChI=1S/C8H15N3.2C2H6/c1-10-8-3-4-11(2)6-7(8)5-9;2*1-2/h5H,3-4,6,9H2,1-2H3;2*1-2H3/b7-5-,10-8+;;.
What are the key properties of ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine?
ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine has a molecular weight of 213.37 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-(1-methyl-4-methyliminopiperidin-3-ylidene)methanamine is sourced from PubChem (CID 142162029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).