N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide

C17H20N2 — CID 139566296

IUPACN'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide
SMILESC/C=C\C1=C(C)CC(C)=c2ccccc2=C1/N=C/N
InChIInChI=1S/C17H20N2/c1-4-7-15-13(3)10-12(2)14-8-5-6-9-16(14)17(15)19-11-18/h4-9,11H,10H2,1-3H3,(H2,18,19)/b7-4-
InChIKeyBHEQQFQRXHKHNH-DAXSKMNVSA-N
MW252.36 g/mol
LogP2.25
Rot. Bonds2

About N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide

N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide (PubChem CID 139566296) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide.

Molecular Properties

Compound NameN'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide
PubChem CID139566296
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide
SMILESC/C=C\C1=C(C)CC(C)=c2ccccc2=C1/N=C/N
InChIInChI=1S/C17H20N2/c1-4-7-15-13(3)10-12(2)14-8-5-6-9-16(14)17(15)19-11-18/h4-9,11H,10H2,1-3H3,(H2,18,19)/b7-4-
InChIKeyBHEQQFQRXHKHNH-DAXSKMNVSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide?
The IUPAC name of N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide (CID 139566296) is N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide.
What is the SMILES notation for N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide?
The canonical SMILES for N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide is C/C=C\C1=C(C)CC(C)=c2ccccc2=C1/N=C/N.
What is the InChIKey of N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide?
The InChIKey is BHEQQFQRXHKHNH-DAXSKMNVSA-N. The full InChI is InChI=1S/C17H20N2/c1-4-7-15-13(3)10-12(2)14-8-5-6-9-16(14)17(15)19-11-18/h4-9,11H,10H2,1-3H3,(H2,18,19)/b7-4-.
What are the key properties of N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide?
N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide has a molecular weight of 252.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide is sourced from PubChem (CID 139566296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).