N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine

C19H25N — CID 142069182

IUPACN,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine
SMILESCC1=CC2CC2(C(C2=CC=C(C)CC=C2)N(C)C)C=C1
InChIInChI=1S/C19H25N/c1-14-6-5-7-16(9-8-14)18(20(3)4)19-11-10-15(2)12-17(19)13-19/h5,7-12,17-18H,6,13H2,1-4H3
InChIKeyBOGLKDDAHSEGHG-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.27
Rot. Bonds3

About N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine

N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine (PubChem CID 142069182) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine
PubChem CID142069182
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC NameN,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine
SMILESCC1=CC2CC2(C(C2=CC=C(C)CC=C2)N(C)C)C=C1
InChIInChI=1S/C19H25N/c1-14-6-5-7-16(9-8-14)18(20(3)4)19-11-10-15(2)12-17(19)13-19/h5,7-12,17-18H,6,13H2,1-4H3
InChIKeyBOGLKDDAHSEGHG-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine with MolForge

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Related Compounds

1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
CID 153384449
N,N,4-trimethylbicyclo[4.1.0]hepta-2,4-dien-1-amine
CID 176947266
1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene
CID 143532130
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
4-bromo-1-methylcyclohepta-1,3,5-triene;ethane
CID 145346166
9-(6-methyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)-9-(4-methylcyclohepta-1,3,6-trien-1-yl)fluorene
CID 145105624
4-methoxy-1-methylcyclohepta-1,3,5-triene
CID 91084913
N-ethyl-2-methoxy-N-[(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 144717930
6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 23160401
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine (CID 142069182) is N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine is CC1=CC2CC2(C(C2=CC=C(C)CC=C2)N(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine?
The InChIKey is BOGLKDDAHSEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-14-6-5-7-16(9-8-14)18(20(3)4)19-11-10-15(2)12-17(19)13-19/h5,7-12,17-18H,6,13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine?
N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine has a molecular weight of 267.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine is sourced from PubChem (CID 142069182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).