ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene

C20H40N4 — CID 142909505

IUPACethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene
SMILESC/C=C\C=C/CCC.C=N/C(=N\N(C)CC)C1CCNCC1.CC
InChIInChI=1S/C10H20N4.C8H14.C2H6/c1-4-14(3)13-10(11-2)9-5-7-12-8-6-9;1-3-5-7-8-6-4-2;1-2/h9,12H,2,4-8H2,1,3H3;3,5,7-8H,4,6H2,1-2H3;1-2H3/b13-10-;5-3-,8-7-;
InChIKeyZPUNHOYMQLKXTF-LXOZKVKZSA-N
MW336.57 g/mol
LogP4.90
Rot. Bonds6

About ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene

ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene (PubChem CID 142909505) has the molecular formula C20H40N4 and a molecular weight of 336.57 g/mol. Its IUPAC name is ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene.

Molecular Properties

Compound Nameethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene
PubChem CID142909505
Molecular FormulaC20H40N4
Molecular Weight336.57 g/mol
Exact Mass336.33
IUPAC Nameethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene
SMILESC/C=C\C=C/CCC.C=N/C(=N\N(C)CC)C1CCNCC1.CC
InChIInChI=1S/C10H20N4.C8H14.C2H6/c1-4-14(3)13-10(11-2)9-5-7-12-8-6-9;1-3-5-7-8-6-4-2;1-2/h9,12H,2,4-8H2,1,3H3;3,5,7-8H,4,6H2,1-2H3;1-2H3/b13-10-;5-3-,8-7-;
InChIKeyZPUNHOYMQLKXTF-LXOZKVKZSA-N
XLogP4.90
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene?
The IUPAC name of ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene (CID 142909505) is ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene.
What is the SMILES notation for ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene?
The canonical SMILES for ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene is C/C=C\C=C/CCC.C=N/C(=N\N(C)CC)C1CCNCC1.CC.
What is the InChIKey of ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene?
The InChIKey is ZPUNHOYMQLKXTF-LXOZKVKZSA-N. The full InChI is InChI=1S/C10H20N4.C8H14.C2H6/c1-4-14(3)13-10(11-2)9-5-7-12-8-6-9;1-3-5-7-8-6-4-2;1-2/h9,12H,2,4-8H2,1,3H3;3,5,7-8H,4,6H2,1-2H3;1-2H3/b13-10-;5-3-,8-7-;.
What are the key properties of ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene?
ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene has a molecular weight of 336.57 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[ethyl(methyl)amino]-N-methylidenepiperidine-4-carboximidamide;(2Z,4Z)-octa-2,4-diene is sourced from PubChem (CID 142909505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).