(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine

C12H22N2 — CID 175611149

IUPAC(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine
SMILES[H]/N=C/C(=C\CC)CC/C(C)=C/NCC
InChIInChI=1S/C12H22N2/c1-4-6-12(9-13)8-7-11(3)10-14-5-2/h6,9-10,13-14H,4-5,7-8H2,1-3H3/b11-10+,12-6-,13-9+
InChIKeyWTBBGAGGSOEXKQ-RJOKZMLXSA-N
MW194.32 g/mol
LogP3.27
Rot. Bonds7

About (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine

(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine (PubChem CID 175611149) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine
PubChem CID175611149
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine
SMILES[H]/N=C/C(=C\CC)CC/C(C)=C/NCC
InChIInChI=1S/C12H22N2/c1-4-6-12(9-13)8-7-11(3)10-14-5-2/h6,9-10,13-14H,4-5,7-8H2,1-3H3/b11-10+,12-6-,13-9+
InChIKeyWTBBGAGGSOEXKQ-RJOKZMLXSA-N
XLogP3.27
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N-ethyl-N',2-dimethylprop-1-ene-1,3-diamine
CID 163865379
(Z)-N-ethyl-2-methanimidoylhex-2-en-1-amine
CID 139554966
(1Z)-N-ethyl-2-methylpenta-1,4-dien-1-amine
CID 144887209
(E)-8-(ethylamino)-6-methanimidoyl-8-oxooct-5-enoic acid
CID 163932600
(Z)-2-ethylhept-2-en-1-imine
CID 146336575
(Z)-4-(ethylamino)-3-methylbut-3-en-2-one
CID 45085246
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543
2-methyl-N-prop-2-enylpent-1-en-1-amine
CID 174914836
1-(ethylamino)-3-iminopropan-2-one
CID 123214763
(1E,3E)-N-ethyl-2,3,4-trimethylhepta-1,3-dien-1-amine
CID 145174387
(Z)-5-chloro-2-ethylhept-2-en-1-imine
CID 90764978

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine?
The IUPAC name of (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine (CID 175611149) is (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine.
What is the SMILES notation for (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine?
The canonical SMILES for (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine is [H]/N=C/C(=C\CC)CC/C(C)=C/NCC.
What is the InChIKey of (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine?
The InChIKey is WTBBGAGGSOEXKQ-RJOKZMLXSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-12(9-13)8-7-11(3)10-14-5-2/h6,9-10,13-14H,4-5,7-8H2,1-3H3/b11-10+,12-6-,13-9+.
What are the key properties of (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine?
(1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z)-N-ethyl-5-methanimidoyl-2-methylocta-1,5-dien-1-amine is sourced from PubChem (CID 175611149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).