2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine

C25H32N2 — CID 91188452

IUPAC2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine
SMILESC=C(C)/C(CC1CCCCC1N)=N\C(=CC)C1=CCCC2=C=CC=CC=C21
InChIInChI=1S/C25H32N2/c1-4-24(22-15-10-13-19-11-6-5-7-14-21(19)22)27-25(18(2)3)17-20-12-8-9-16-23(20)26/h4-7,14-15,20,23H,2,8-10,12-13,16-17,26H2,1,3H3/b24-4?,27-25-
InChIKeyDYSXFWNPSNMHKR-FTABATHQSA-N
MW360.55 g/mol
LogP6.11
Rot. Bonds5

About 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine

2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine (PubChem CID 91188452) has the molecular formula C25H32N2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine
PubChem CID91188452
Molecular FormulaC25H32N2
Molecular Weight360.55 g/mol
Exact Mass360.26
IUPAC Name2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine
SMILESC=C(C)/C(CC1CCCCC1N)=N\C(=CC)C1=CCCC2=C=CC=CC=C21
InChIInChI=1S/C25H32N2/c1-4-24(22-15-10-13-19-11-6-5-7-14-21(19)22)27-25(18(2)3)17-20-12-8-9-16-23(20)26/h4-7,14-15,20,23H,2,8-10,12-13,16-17,26H2,1,3H3/b24-4?,27-25-
InChIKeyDYSXFWNPSNMHKR-FTABATHQSA-N
XLogP6.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,4a,5,6-hexahydro-1H-carbazol-3-amine
CID 69862123
(9E)-4-cyclohexa-1,3-dien-1-yl-9-cyclohexa-1,5-dien-1-yl-2-methyl-11-methylimino-8-[(Z)-prop-1-enyl]dodeca-1,9-dien-6-amine
CID 88992140
4-[N-(5,5-diethylheptan-2-yl)-C-methylcarbonimidoyl]cyclohexa-1,5-dien-1-amine
CID 89074096
(2Z,4Z)-5-cyclohex-2-en-1-yl-1-N-[5-(3,4-dihydro-2H-pyrrol-5-yl)cyclohexa-1,5-dien-1-yl]hepta-2,4-diene-1,4-diamine
CID 89531193
(1S)-6-imino-5-[(5E)-9-methyldeca-1,5,9-trien-2-yl]-3-(2-methylpropyl)cyclohexa-2,4-dien-1-amine
CID 132124209
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
(2E,4Z,6E)-6-[C-methyl-N-[[(3E)-3-(2-methylpropylidene)cyclohexen-1-yl]methyl]carbonimidoyl]nona-2,4,6,8-tetraen-3-amine
CID 134525287
N-[[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]methyl]-4-ethylcyclohexan-1-amine;ethane
CID 142230331
3-Tert-butyl-6-pentylcyclohepta-1,3,5-trien-1-amine;ethane;6-iminocyclohexa-2,4-dien-1-amine
CID 142376834
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
(2Z,4E)-1-cyclohexyl-N,4,5-trimethylhepta-2,4-dien-1-imine;(1Z,3Z)-penta-1,3-diene-1,4-diamine
CID 144928597
(Z)-7-cyclohexyl-3,3,5-trimethyl-7-methyliminohept-5-en-1-amine;(3Z)-2-methylpenta-1,3-diene
CID 145299304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine?
The IUPAC name of 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine (CID 91188452) is 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine?
The canonical SMILES for 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine is C=C(C)/C(CC1CCCCC1N)=N\C(=CC)C1=CCCC2=C=CC=CC=C21.
What is the InChIKey of 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine?
The InChIKey is DYSXFWNPSNMHKR-FTABATHQSA-N. The full InChI is InChI=1S/C25H32N2/c1-4-24(22-15-10-13-19-11-6-5-7-14-21(19)22)27-25(18(2)3)17-20-12-8-9-16-23(20)26/h4-7,14-15,20,23H,2,8-10,12-13,16-17,26H2,1,3H3/b24-4?,27-25-.
What are the key properties of 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine?
2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine has a molecular weight of 360.55 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,4-dihydrobenzo[7]annulen-1-yl)prop-1-enylimino]-3-methylbut-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 91188452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).