(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine

C16H18N2 — CID 145302815

IUPAC(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILES[H]/N=C1\C=CC=C\C1=C(/C1=CC=CC=CC1)N(C)C
InChIInChI=1S/C16H18N2/c1-18(2)16(13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h3-9,11-12,17H,10H2,1-2H3/b16-14-,17-15+
InChIKeyFKJDHKNLTHQANF-QUDUTFMFSA-N
MW238.33 g/mol
LogP3.39
Rot. Bonds2

About (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine

(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (PubChem CID 145302815) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
PubChem CID145302815
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
SMILES[H]/N=C1\C=CC=C\C1=C(/C1=CC=CC=CC1)N(C)C
InChIInChI=1S/C16H18N2/c1-18(2)16(13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h3-9,11-12,17H,10H2,1-2H3/b16-14-,17-15+
InChIKeyFKJDHKNLTHQANF-QUDUTFMFSA-N
XLogP3.39
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The IUPAC name of (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine (CID 145302815) is (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine.
What is the SMILES notation for (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The canonical SMILES for (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is [H]/N=C1\C=CC=C\C1=C(/C1=CC=CC=CC1)N(C)C.
What is the InChIKey of (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
The InChIKey is FKJDHKNLTHQANF-QUDUTFMFSA-N. The full InChI is InChI=1S/C16H18N2/c1-18(2)16(13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h3-9,11-12,17H,10H2,1-2H3/b16-14-,17-15+.
What are the key properties of (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine?
(1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine has a molecular weight of 238.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-cyclohepta-1,3,5-trien-1-yl-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine is sourced from PubChem (CID 145302815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).