N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine

C12H22N2 — CID 90796897

IUPACN-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
SMILESC=NCN(CC)CC(C)=CC=CCC
InChIInChI=1S/C12H22N2/c1-5-7-8-9-12(3)10-14(6-2)11-13-4/h7-9H,4-6,10-11H2,1-3H3
InChIKeyLPZZUWJWMHRASL-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.88
Rot. Bonds7

About N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine

N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine (PubChem CID 90796897) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
PubChem CID90796897
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
SMILESC=NCN(CC)CC(C)=CC=CCC
InChIInChI=1S/C12H22N2/c1-5-7-8-9-12(3)10-14(6-2)11-13-4/h7-9H,4-6,10-11H2,1-3H3
InChIKeyLPZZUWJWMHRASL-UHFFFAOYSA-N
XLogP2.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 155394910
(2E)-N-methyl-N-[(Z)-2-(methylideneamino)ethenyl]-2-[(E)-prop-1-enyl]penta-2,4-dien-1-amine
CID 88586056
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
3-ethylidene-N,N,1,5-tetramethyl-2,6-dihydropyridin-2-amine
CID 123291241
3-Methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole
CID 123312462
1,8-Dimethyl-2,3,7,8a-tetrahydro-1,8-naphthyridine
CID 123778151
ethane;N'-ethyl-N'-[(Z,2E)-2-ethylidenepent-3-enyl]methanediamine
CID 141892261
(Z)-N'-ethyl-N,N,N'-trimethyl-2,5-dimethylidenehex-3-ene-1,6-diamine
CID 142585427
ethane;(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
CID 143178458
N-[1-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydropyrrol-5-yl]methanimine
CID 143402601
ethane;[(E)-2-ethenylpent-2-enyl]-ethylcyanamide
CID 143779686
(E,2E)-N-but-3-enyl-4-methyl-2-[(methylideneamino)methylidene]-N-(2-methylpropyl)hex-3-en-1-amine
CID 166785773

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine?
The IUPAC name of N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine (CID 90796897) is N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine is C=NCN(CC)CC(C)=CC=CCC.
What is the InChIKey of N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine?
The InChIKey is LPZZUWJWMHRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-5-7-8-9-12(3)10-14(6-2)11-13-4/h7-9H,4-6,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine?
N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine is sourced from PubChem (CID 90796897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).