1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine

C17H25N — CID 123341733

IUPAC1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine
SMILESC=C(C=CC)/C(=N\CCC(C)C)C1=CC=CCC1
InChIInChI=1S/C17H25N/c1-5-9-15(4)17(18-13-12-14(2)3)16-10-7-6-8-11-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3/b9-5?,18-17+
InChIKeyPNRFZZHGKRIIJP-HVDBICLGSA-N
MW243.39 g/mol
LogP4.88
Rot. Bonds6

About 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine

1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine (PubChem CID 123341733) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine
PubChem CID123341733
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine
SMILESC=C(C=CC)/C(=N\CCC(C)C)C1=CC=CCC1
InChIInChI=1S/C17H25N/c1-5-9-15(4)17(18-13-12-14(2)3)16-10-7-6-8-11-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3/b9-5?,18-17+
InChIKeyPNRFZZHGKRIIJP-HVDBICLGSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.88
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

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N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine
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5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
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CID 71007562
5-ethyl-3-[(3Z,4Z)-4-ethylidene-5-methyl-3-(2-methylpropylidene)cyclohexa-1,5-dien-1-yl]-6-methyl-2,3-dihydropyridine
CID 88905239
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine (CID 123341733) is 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine is C=C(C=CC)/C(=N\CCC(C)C)C1=CC=CCC1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine?
The InChIKey is PNRFZZHGKRIIJP-HVDBICLGSA-N. The full InChI is InChI=1S/C17H25N/c1-5-9-15(4)17(18-13-12-14(2)3)16-10-7-6-8-11-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3/b9-5?,18-17+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine?
1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine has a molecular weight of 243.39 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine is sourced from PubChem (CID 123341733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).