(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'}

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

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Related Compounds

(3E)-N-methyl-N-(methylideneamino)hexa-1,3-dien-3-amine
CID 89320182
1-N,1-N,3-N,3-N,2-pentamethylcyclohepta-1,3,5-triene-1,3-diamine
CID 118147411
N-methyl-3-methylidene-N-(methylideneamino)hepta-1,4,6-trien-2-amine
CID 123566008
(Z,4E)-4-ethylidene-N-(methylideneamino)-N-prop-2-enylhept-2-en-3-amine
CID 139355968
(3Z,6Z)-N-(3-methylbut-2-en-2-yl)-N-(methylideneamino)octa-1,3,6-trien-2-amine
CID 139373816
1,1-dimethyl-2-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]-2-[(Z)-prop-1-enyl]hydrazine
CID 143325340
N-methyl-N-(methylideneamino)cyclohexa-1,5-dien-1-amine
CID 143554337
(2Z,4E)-3-ethyl-N-methyl-6-methylidene-N-(methylideneamino)octa-2,4-dien-4-amine
CID 145404879
N,N,4-trimethyl-7-[(Z)-prop-1-enyl]cyclohepta-1,3,6-trien-1-amine
CID 146351725
(2E)-4-methyl-N-(methylideneamino)-N-prop-1-en-2-ylpenta-2,4-dien-1-amine
CID 155002211
(3E)-N-ethenyl-6-methyl-N-(methylideneamino)hepta-3,5-dien-3-amine
CID 155197740
N-[(E)-but-2-en-2-yl]-3,4-dimethyl-N-(methylideneamino)penta-1,3-dien-2-amine
CID 156235550

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).