N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide

C17H22N2 — CID 123319103

IUPACN'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cccc2c1=CC(C)(C)C=CC=2)N(C)C
InChIInChI=1S/C17H22N2/c1-13(19(4)5)18-16-10-6-8-14-9-7-11-17(2,3)12-15(14)16/h6-12H,1-5H3/b18-13+
InChIKeyDINNNHMKJLXDCB-QGOAFFKASA-N
MW254.38 g/mol
LogP2.46
Rot. Bonds1

About N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide

N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide (PubChem CID 123319103) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
PubChem CID123319103
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide
SMILESC/C(=N\c1cccc2c1=CC(C)(C)C=CC=2)N(C)C
InChIInChI=1S/C17H22N2/c1-13(19(4)5)18-16-10-6-8-14-9-7-11-17(2,3)12-15(14)16/h6-12H,1-5H3/b18-13+
InChIKeyDINNNHMKJLXDCB-QGOAFFKASA-N
XLogP2.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-N'-(2-methylpenta-1,3-dien-3-yl)ethanimidamide
CID 91526316
2-(6,6-Dimethylbenzo[7]annulen-4-yl)-1,1,3,3-tetramethylguanidine
CID 123736663
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
CID 142229617
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine;ethane
CID 143904574
4-ethenyl-N-methyl-N-[(2E,4Z)-5-(2-methylcyclohepta-1,3,5-trien-1-yl)penta-2,4-dien-2-yl]-2H-azepin-7-amine
CID 146259495
1-(3-methylbut-1-en-2-yl)-N-[(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]pyridin-2-imine
CID 168932717
N'-(6-butan-2-ylidenecyclohexa-1,4-dien-1-yl)-N-methyl-N-(1-methyliminoprop-1-en-2-yl)methanimidamide
CID 136080069
(7E)-N,N,2-trimethyl-6-methylidene-7-prop-2-enylidene-5H-1,3-diazepin-4-amine
CID 142229405
N'-cyclohepta-1,4,6-trien-1-yl-N-[1-(dimethylamino)ethylidene]ethanimidamide
CID 142231154
7-[(1Z)-buta-1,3-dienyl]-N'-(1-cyclohexa-1,5-dien-1-ylethenyl)-6-methyl-N-methylidenecyclohepta-1,3,6-triene-1-carboximidamide
CID 142385048
N-[[(1E,6Z)-cycloocta-1,4,6-trien-1-yl]methyl]-1-ethenyl-6-methylpyridin-2-imine
CID 143904575
N'-[(3E)-4-ethenyl-5-methylhexa-1,3,5-trien-3-yl]-N-methyl-N-[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl]propanimidamide
CID 145212764

Frequently Asked Questions

What is the IUPAC name of N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide?
The IUPAC name of N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide (CID 123319103) is N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide is C/C(=N\c1cccc2c1=CC(C)(C)C=CC=2)N(C)C.
What is the InChIKey of N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide?
The InChIKey is DINNNHMKJLXDCB-QGOAFFKASA-N. The full InChI is InChI=1S/C17H22N2/c1-13(19(4)5)18-16-10-6-8-14-9-7-11-17(2,3)12-15(14)16/h6-12H,1-5H3/b18-13+.
What are the key properties of N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide?
N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide has a molecular weight of 254.38 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6,6-dimethylbenzo[7]annulen-4-yl)-N,N-dimethylethanimidamide is sourced from PubChem (CID 123319103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).