(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine

C16H24N2 — CID 170236994

IUPAC(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=C(C)C(N)=C(CC)/C(=C\C)C1(C)C
InChIInChI=1S/C16H24N2/c1-7-12-13(8-2)16(5,6)14(10(3)9-17)11(4)15(12)18/h8-9,17H,3,7,18H2,1-2,4-6H3/b13-8+,17-9+
InChIKeyBCOWRSOYYXBOHA-GHUIUTHHSA-N
MW244.38 g/mol
LogP4.12
Rot. Bonds3

About (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine

(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine (PubChem CID 170236994) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
PubChem CID170236994
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=C(C)C(N)=C(CC)/C(=C\C)C1(C)C
InChIInChI=1S/C16H24N2/c1-7-12-13(8-2)16(5,6)14(10(3)9-17)11(4)15(12)18/h8-9,17H,3,7,18H2,1-2,4-6H3/b13-8+,17-9+
InChIKeyBCOWRSOYYXBOHA-GHUIUTHHSA-N
XLogP4.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine;1-methylcyclohexa-1,3-diene;molecular hydrogen;hydrofluoride
CID 143857332
molecular hydrogen;(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)propan-1-imine
CID 144583788
6-Methanimidoyl-2-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 146430751
(1E,5E)-2,5-diethyl-7-imino-3,3-dimethyl-4-propan-2-ylidenehepta-1,5-dien-1-amine
CID 156509234
3-[1-[(2E,4E)-4-tert-butylhexa-2,4-dien-2-yl]cyclopentyl]-2-methylidenebut-3-en-1-imine
CID 167041049
(3Z)-5-(3-iminoprop-1-en-2-yl)-2,4,4-trimethyl-3-(2-methylbutylidene)cyclohexa-1,5-dien-1-amine
CID 169688819
(3Z)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4,6-pentamethyl-3-(2-methylpropylidene)cyclohexa-1,5-dien-1-amine
CID 169688821
(3Z)-3-ethylidene-5-(3-ethyliminoprop-1-en-2-yl)-2,4,4-trimethylcyclohexa-1,5-dien-1-amine
CID 169688822
(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine
CID 170236980
(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 170268876
(3Z)-3-ethylidene-5-(3-iminopropyl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 170268958
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
CID 143857333

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine (CID 170236994) is (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine is [H]/N=C/C(=C)C1=C(C)C(N)=C(CC)/C(=C\C)C1(C)C.
What is the InChIKey of (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is BCOWRSOYYXBOHA-GHUIUTHHSA-N. The full InChI is InChI=1S/C16H24N2/c1-7-12-13(8-2)16(5,6)14(10(3)9-17)11(4)15(12)18/h8-9,17H,3,7,18H2,1-2,4-6H3/b13-8+,17-9+.
What are the key properties of (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine?
(3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 244.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 170236994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).