1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine

C17H27N3 — CID 91473783

IUPAC1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine
SMILESCCCC(=NC1N=CCCC1C)C(N)C1=CCCC=C1
InChIInChI=1S/C17H27N3/c1-3-8-15(16(18)14-10-5-4-6-11-14)20-17-13(2)9-7-12-19-17/h5,10-13,16-17H,3-4,6-9,18H2,1-2H3
InChIKeyPSZSMDZDNSFDTH-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.66
Rot. Bonds5

About 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine

1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine (PubChem CID 91473783) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine
PubChem CID91473783
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine
SMILESCCCC(=NC1N=CCCC1C)C(N)C1=CCCC=C1
InChIInChI=1S/C17H27N3/c1-3-8-15(16(18)14-10-5-4-6-11-14)20-17-13(2)9-7-12-19-17/h5,10-13,16-17H,3-4,6-9,18H2,1-2H3
InChIKeyPSZSMDZDNSFDTH-UHFFFAOYSA-N
XLogP3.66
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N'-[(Z,4R)-7-amino-1-cyclohexa-1,5-dien-1-yl-4-methylnon-5-enyl]cyclohex-3-ene-1-carboximidamide
CID 68077279
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)ethanimine;hexane-1,1-diamine
CID 70417806
2-[2-(4-methylcyclohexa-2,4-dien-1-yl)ethyl]-2H-pyridin-1-ium
CID 91135166
N-(2-methylhept-1-en-3-yl)-2-(3-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)propan-1-imine
CID 91161503
[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
CID 143606113
N'-butan-2-ylidene-2-cyclohepta-1,3,5-trien-1-ylbutane-1,4-diimine;ethane
CID 144145258
1-[5-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-2-cyclohex-2-en-1-yl-2H-pyrrol-3-yl]ethanamine
CID 156315964
N-methyl-1-[3-methyl-2-(methyliminomethyl)cyclohexa-2,4-dien-1-yl]-1-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)methanimine
CID 166712650
[6-[(3E,5Z)-2-cyclohepta-1,3,6-trien-1-yl-3-methylocta-3,5-dienyl]-2,3-dihydropyrazin-5-yl]methanamine
CID 166808997
3-(aminomethylimino)-3-cyclohexa-2,4-dien-1-yl-N,N-dimethyl-1-(6-methylcyclohexen-1-yl)propan-1-amine
CID 173500242
1-[4-(2-ethyl-3-methylidene-2H-pyridin-4-yl)cyclohexa-1,3-dien-1-yl]propan-2-imine
CID 174246384

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine (CID 91473783) is 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine is CCCC(=NC1N=CCCC1C)C(N)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine?
The InChIKey is PSZSMDZDNSFDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-8-15(16(18)14-10-5-4-6-11-14)20-17-13(2)9-7-12-19-17/h5,10-13,16-17H,3-4,6-9,18H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine?
1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-[(3-methyl-2,3,4,5-tetrahydropyridin-2-yl)imino]pentan-1-amine is sourced from PubChem (CID 91473783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).