N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine

C12H21N — CID 130348009

IUPACN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
SMILESC=C(/C=C(\N=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+
InChIKeyUASDRJQMPJDCBN-CZAVNJROSA-N
MW179.31 g/mol
LogP3.83
Rot. Bonds4

About N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine

N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine (PubChem CID 130348009) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
PubChem CID130348009
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
SMILESC=C(/C=C(\N=C\C)C(C)C)C(C)C
InChIInChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+
InChIKeyUASDRJQMPJDCBN-CZAVNJROSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(ethylideneamino)-N,6-dimethyl-5-methylidene-N-propan-2-ylhepta-1,3-dien-2-amine
CID 155208602
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
N-[(Z)-but-2-en-2-yl]-3-methyl-2-methylidenebutan-1-imine
CID 134226025
N-[(2E)-3-propan-2-ylpenta-2,4-dien-2-yl]ethanimine
CID 126593521
ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
CID 144746794
(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
CID 134267284
2-(ethylideneamino)prop-2-enenitrile
CID 145493819
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]hydrazine
CID 170144410
ethane;(1Z)-1-[(Z)-ethylideneamino]-3-methyl-N-propan-2-ylbuta-1,3-dien-1-amine
CID 142520948
(2Z,5Z)-N,8-dimethyl-7-methylidene-3-propan-2-ylnona-2,5-dien-4-imine;ethane
CID 166146875
ethane;(3Z)-hexa-1,3,5-triene;4-methyl-3-methylidenepent-1-ene
CID 145476448
(E)-4-(ethylideneamino)-N-[6-[[(E)-4-iminohex-2-en-3-yl]amino]-6-oxohexyl]-5-methyl-2-methylidenehex-3-enamide
CID 90708048

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The IUPAC name of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine (CID 130348009) is N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine.
What is the SMILES notation for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The canonical SMILES for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine is C=C(/C=C(\N=C\C)C(C)C)C(C)C.
What is the InChIKey of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
The InChIKey is UASDRJQMPJDCBN-CZAVNJROSA-N. The full InChI is InChI=1S/C12H21N/c1-7-13-12(10(4)5)8-11(6)9(2)3/h7-10H,6H2,1-5H3/b12-8-,13-7+.
What are the key properties of N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine?
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine has a molecular weight of 179.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine is sourced from PubChem (CID 130348009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).