N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine

C18H27N3 — CID 123166780

IUPACN-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine
SMILESC=CC=C(N=C)C(=C)C=C(C=CC)N1CCCN(C)CC1
InChIInChI=1S/C18H27N3/c1-6-9-17(15-16(3)18(19-4)10-7-2)21-12-8-11-20(5)13-14-21/h6-7,9-10,15H,2-4,8,11-14H2,1,5H3
InChIKeyZUOPQYSIMFURGL-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.41
Rot. Bonds6

About N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine

N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine (PubChem CID 123166780) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine.

Molecular Properties

Compound NameN-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine
PubChem CID123166780
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine
SMILESC=CC=C(N=C)C(=C)C=C(C=CC)N1CCCN(C)CC1
InChIInChI=1S/C18H27N3/c1-6-9-17(15-16(3)18(19-4)10-7-2)21-12-8-11-20(5)13-14-21/h6-7,9-10,15H,2-4,8,11-14H2,1,5H3
InChIKeyZUOPQYSIMFURGL-UHFFFAOYSA-N
XLogP3.41
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine with MolForge

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Related Compounds

1-[(2E,4Z)-5,6-dimethylhepta-2,4,6-trien-2-yl]-4-methyl-1,4-diazepane
CID 137401337
ethane;(4E,6E)-7-(4-methyl-1,4-diazepan-1-yl)nona-1,4,6,8-tetraen-4-amine
CID 143028399
ethane;1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-methyl-1,4-diazepane;methane
CID 143054400
ethane;N-[1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-3-yl]methanimine
CID 144600040
N'-buta-1,3-dien-2-yl-N'-ethyl-N-methyl-N-(3-methylcyclohepta-1,3,6-trien-1-yl)ethane-1,2-diamine
CID 169983563
1-Tert-butyl-4-(5-methylcyclohexa-1,5-dien-1-yl)-1,4-diazepane
CID 170202745
1-methyl-4-[(9Z)-7-methylundeca-2,5,6,9-tetraen-2-yl]-1,4-diazepane
CID 173817614
1-Cyclohexa-1,5-dien-1-yl-4-methyl-1,4-diazepane
CID 175756673
1-[(2E,4Z)-hepta-2,4-dien-2-yl]-4-methyl-1,4-diazepane
CID 143054401
(2Z,4Z)-N,N-dimethyl-3-(2-methylcyclohepta-1,3,6-trien-1-yl)-5-(4-methyl-1,4-diazepan-1-yl)-5-(methylideneamino)penta-2,4-dien-2-amine
CID 143294261

Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine?
The IUPAC name of N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine (CID 123166780) is N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine.
What is the SMILES notation for N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine?
The canonical SMILES for N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine is C=CC=C(N=C)C(=C)C=C(C=CC)N1CCCN(C)CC1.
What is the InChIKey of N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine?
The InChIKey is ZUOPQYSIMFURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-9-17(15-16(3)18(19-4)10-7-2)21-12-8-11-20(5)13-14-21/h6-7,9-10,15H,2-4,8,11-14H2,1,5H3.
What are the key properties of N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine?
N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine has a molecular weight of 285.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methyl-1,4-diazepan-1-yl)-5-methylidenedeca-1,3,6,8-tetraen-4-yl]methanimine is sourced from PubChem (CID 123166780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).