6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine

C17H25N — CID 118247092

IUPAC6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=CC(=C)C(C)/C=C\C(C)NC1=CC=CCC1C
InChIInChI=1S/C17H25N/c1-6-13(2)14(3)11-12-16(5)18-17-10-8-7-9-15(17)4/h6-8,10-12,14-16,18H,1-2,9H2,3-5H3/b12-11-
InChIKeySHFKUDINIJAYOI-QXMHVHEDSA-N
MW243.39 g/mol
LogP4.38
Rot. Bonds6

About 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine

6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 118247092) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID118247092
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine
SMILESC=CC(=C)C(C)/C=C\C(C)NC1=CC=CCC1C
InChIInChI=1S/C17H25N/c1-6-13(2)14(3)11-12-16(5)18-17-10-8-7-9-15(17)4/h6-8,10-12,14-16,18H,1-2,9H2,3-5H3/b12-11-
InChIKeySHFKUDINIJAYOI-QXMHVHEDSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[[(2Z)-4-fluoro-8-methyl-8-azabicyclo[5.3.1]undeca-2,5,7(11),9-tetraen-10-yl]methyl]butan-1-amine
CID 126583206
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(Z,3Z)-7-fluoro-7-methyl-N-prop-1-en-2-yl-3-prop-2-enylideneoct-4-en-1-amine
CID 134302585
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
CID 135269196
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
4-(4-ethylcyclohexa-1,5-dien-1-yl)-2-[(3Z)-2-fluorohexa-3,5-dien-3-yl]-2,5-dihydro-1H-pyrrole
CID 139314624
(3E,4Z)-N-butyl-3-ethylidene-6-fluorohepta-1,4,6-trien-2-amine
CID 142066618
(2E,4E)-2-ethenyl-5-fluoro-N-(3-methylpent-1-en-2-yl)hexa-2,4-dien-1-amine
CID 142326450
N-[(3,6-difluoro-5-methylcyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpent-1-en-2-amine
CID 156131249

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine (CID 118247092) is 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine is C=CC(=C)C(C)/C=C\C(C)NC1=CC=CCC1C.
What is the InChIKey of 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is SHFKUDINIJAYOI-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H25N/c1-6-13(2)14(3)11-12-16(5)18-17-10-8-7-9-15(17)4/h6-8,10-12,14-16,18H,1-2,9H2,3-5H3/b12-11-.
What are the key properties of 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine?
6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3Z)-5-methyl-6-methylideneocta-3,7-dien-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 118247092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).