(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine

C16H26N2 — CID 170123214

IUPAC(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine
SMILESC=C/C=N\N(C)/C(=C/C=C(C)C)C(=C)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-9-12-17-18(8)15(11-10-13(2)3)14(4)16(5,6)7/h9-12H,1,4H2,2-3,5-8H3/b15-11+,17-12-
InChIKeyQFEGQBPIEOKKEV-GLDUUKHASA-N
MW246.40 g/mol
LogP4.54
Rot. Bonds5

About (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine

(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine (PubChem CID 170123214) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine.

Molecular Properties

Compound Name(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine
PubChem CID170123214
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine
SMILESC=C/C=N\N(C)/C(=C/C=C(C)C)C(=C)C(C)(C)C
InChIInChI=1S/C16H26N2/c1-9-12-17-18(8)15(11-10-13(2)3)14(4)16(5,6)7/h9-12H,1,4H2,2-3,5-8H3/b15-11+,17-12-
InChIKeyQFEGQBPIEOKKEV-GLDUUKHASA-N
XLogP4.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966734
(3Z)-N,3,6-trimethyl-N-(methylideneamino)hepta-1,3,5-trien-2-amine
CID 166786271
(3E)-6,6-dimethyl-5-methylidenehepta-1,3-dien-4-amine
CID 155692973
N-amino-2-methyl-N-[(Z)-prop-2-enylideneamino]propan-2-amine
CID 167227928
ethane;N-methyl-N-[(Z)-3-methylbut-2-enylideneamino]methanamine
CID 143099985
(3Z)-N,N,2,2-tetramethylhexa-3,5-dien-3-amine
CID 129256004
N-methyl-N-[(E)-prop-2-enylideneamino]ethanamine
CID 90211188
ethane;N-[(Z)-ethylideneamino]-N-methylprop-1-en-2-amine
CID 145240581
[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
CID 171733590
(3E)-4-fluoro-2,6,6-trimethyl-5-methylidenehepta-1,3-diene
CID 166121568
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
N-methyl-N-[2-[methyl-[1-[(Z)-prop-2-enylideneamino]ethenyl]amino]ethyl]acetamide
CID 143834995

Frequently Asked Questions

What is the IUPAC name of (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine?
The IUPAC name of (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine (CID 170123214) is (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine.
What is the SMILES notation for (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine?
The canonical SMILES for (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine is C=C/C=N\N(C)/C(=C/C=C(C)C)C(=C)C(C)(C)C.
What is the InChIKey of (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine?
The InChIKey is QFEGQBPIEOKKEV-GLDUUKHASA-N. The full InChI is InChI=1S/C16H26N2/c1-9-12-17-18(8)15(11-10-13(2)3)14(4)16(5,6)7/h9-12H,1,4H2,2-3,5-8H3/b15-11+,17-12-.
What are the key properties of (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine?
(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine has a molecular weight of 246.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine is sourced from PubChem (CID 170123214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).