N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine

C15H20N2 — CID 144509143

IUPACN-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine
SMILESC=C/C=C(CNC1=CC=CCC=C1)\N=C\CC
InChIInChI=1S/C15H20N2/c1-3-9-15(16-12-4-2)13-17-14-10-7-5-6-8-11-14/h3,5,7-12,17H,1,4,6,13H2,2H3/b15-9-,16-12+
InChIKeyIXIALZUKNFQWCA-NZWPRXBESA-N
MW228.34 g/mol
LogP3.53
Rot. Bonds6

About N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine

N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine (PubChem CID 144509143) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine
PubChem CID144509143
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine
SMILESC=C/C=C(CNC1=CC=CCC=C1)\N=C\CC
InChIInChI=1S/C15H20N2/c1-3-9-15(16-12-4-2)13-17-14-10-7-5-6-8-11-14/h3,5,7-12,17H,1,4,6,13H2,2H3/b15-9-,16-12+
InChIKeyIXIALZUKNFQWCA-NZWPRXBESA-N
XLogP3.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3Z)-1-(2,2-difluoroethylideneamino)hexa-1,3-dien-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 144217396
(3E,5E)-N-[(Z)-2-(ethylideneamino)-4-methylpent-2-enyl]-5-fluorohepta-1,3,5-trien-3-amine
CID 145145037
(2E)-2-(ethylideneamino)-N-methylhepta-2,6-dien-1-amine
CID 88918558
(2E)-1-(ethylideneamino)-N-methylhepta-2,6-dien-2-amine
CID 88918559
(2E,4E)-N-ethyl-4-(methylideneamino)hepta-2,4-dien-3-amine
CID 88918610
N-(3,4-dihydropyridin-6-ylmethyl)propan-2-amine
CID 89002162
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-propylethane-1,2-diamine
CID 117908132
N-[(1Z)-1-[(5Z)-5-ethylidene-1,2-dihydropyridin-6-ylidene]ethyl]butan-1-imine
CID 118124176
N'-[(3Z)-5-iminohexa-1,3-dien-2-yl]-N-propylethane-1,2-diamine
CID 118146500
3-methyl-6,7,8,9-tetrahydro-3H-pyrido[3,4-b]azepine
CID 123695228
N-ethyl-3-methylazepin-3-amine
CID 123760612
5-[[(3E,5Z)-4-amino-5-methylhepta-3,5-dienylidene]amino]cyclohepta-1,4,6-trien-1-amine
CID 126495814

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine (CID 144509143) is N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine is C=C/C=C(CNC1=CC=CCC=C1)\N=C\CC.
What is the InChIKey of N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine?
The InChIKey is IXIALZUKNFQWCA-NZWPRXBESA-N. The full InChI is InChI=1S/C15H20N2/c1-3-9-15(16-12-4-2)13-17-14-10-7-5-6-8-11-14/h3,5,7-12,17H,1,4,6,13H2,2H3/b15-9-,16-12+.
What are the key properties of N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine?
N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-(propylideneamino)penta-2,4-dienyl]cyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 144509143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).