(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine

C18H28N2 — CID 170236980

IUPAC(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=CC(NC)=C(C)/C(=C\C(C)(C)C)C1(C)C
InChIInChI=1S/C18H28N2/c1-12(11-19)14-9-16(20-8)13(2)15(18(14,6)7)10-17(3,4)5/h9-11,19-20H,1H2,2-8H3/b15-10+,19-11+
InChIKeyQOTWDXDGZCKKNR-BIWDTAPOSA-N
MW272.44 g/mol
LogP4.62
Rot. Bonds3

About (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine

(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine (PubChem CID 170236980) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine
PubChem CID170236980
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C/C(=C)C1=CC(NC)=C(C)/C(=C\C(C)(C)C)C1(C)C
InChIInChI=1S/C18H28N2/c1-12(11-19)14-9-16(20-8)13(2)15(18(14,6)7)10-17(3,4)5/h9-11,19-20H,1H2,2-8H3/b15-10+,19-11+
InChIKeyQOTWDXDGZCKKNR-BIWDTAPOSA-N
XLogP4.62
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.62
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

[2-[2-(aminomethyl)-5-fluorocyclohexa-1,5-dien-1-yl]-2-methylpropylidene]-[(4S)-2,4-diethylcyclobuten-1-yl]azanium
CID 163939896
(3E,5Z)-2,3-diethyl-N-methyl-2-[(3E,5Z)-octa-3,5,7-trien-4-yl]octa-3,5-dien-1-imine;N-methylprop-1-en-2-amine
CID 142330018
(2E,4E)-N-[(4,4-dimethyl-2,6-dimethylidenecyclohexylidene)methyl]-4-ethyl-1-methyliminohexa-2,4-dien-2-amine
CID 166983676
(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)-2-ethyl-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-4,4,6-trimethylcyclohexa-1,5-dien-1-amine
CID 170236994
(3Z)-3-ethylidene-5-(3-iminoprop-1-en-2-yl)-2,4,4,6-tetramethylcyclohexa-1,5-dien-1-amine
CID 170268876
(7aS)-6-methanimidoyl-7a-methyl-1,2,3,7-tetrahydroinden-5-amine
CID 143857333

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine (CID 170236980) is (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine is [H]/N=C/C(=C)C1=CC(NC)=C(C)/C(=C\C(C)(C)C)C1(C)C.
What is the InChIKey of (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine?
The InChIKey is QOTWDXDGZCKKNR-BIWDTAPOSA-N. The full InChI is InChI=1S/C18H28N2/c1-12(11-19)14-9-16(20-8)13(2)15(18(14,6)7)10-17(3,4)5/h9-11,19-20H,1H2,2-8H3/b15-10+,19-11+.
What are the key properties of (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine?
(3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,2-dimethylpropylidene)-5-(3-iminoprop-1-en-2-yl)-N,2,4,4-tetramethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 170236980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).