(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine

C15H22N2 — CID 139397574

IUPAC(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN(C)/C(=C\CC)C1=CCC=CC(CC)=C1
InChIInChI=1S/C15H22N2/c1-5-9-15(17(4)16-3)14-11-8-7-10-13(6-2)12-14/h7,9-12H,3,5-6,8H2,1-2,4H3/b15-9-
InChIKeyHQQQOIWEKSHKIH-DHDCSXOGSA-N
MW230.35 g/mol
LogP4.05
Rot. Bonds5

About (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine

(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine (PubChem CID 139397574) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
PubChem CID139397574
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine
SMILESC=NN(C)/C(=C\CC)C1=CCC=CC(CC)=C1
InChIInChI=1S/C15H22N2/c1-5-9-15(17(4)16-3)14-11-8-7-10-13(6-2)12-14/h7,9-12H,3,5-6,8H2,1-2,4H3/b15-9-
InChIKeyHQQQOIWEKSHKIH-DHDCSXOGSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine (CID 139397574) is (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine is C=NN(C)/C(=C\CC)C1=CCC=CC(CC)=C1.
What is the InChIKey of (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine?
The InChIKey is HQQQOIWEKSHKIH-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-9-15(17(4)16-3)14-11-8-7-10-13(6-2)12-14/h7,9-12H,3,5-6,8H2,1-2,4H3/b15-9-.
What are the key properties of (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine?
(Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine has a molecular weight of 230.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(6-ethylcyclohepta-1,4,6-trien-1-yl)-N-methyl-N-(methylideneamino)but-1-en-1-amine is sourced from PubChem (CID 139397574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).