2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene

C10H13N — CID 134267172

IUPAC2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
SMILESCC1=CC(C(C)C)=CC=C=N1
InChIInChI=1S/C10H13N/c1-8(2)10-5-4-6-11-9(3)7-10/h4-5,7-8H,1-3H3
InChIKeyKWRQJZLGAVVEJG-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.71
Rot. Bonds1

About 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene

2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene (PubChem CID 134267172) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
PubChem CID134267172
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
SMILESCC1=CC(C(C)C)=CC=C=N1
InChIInChI=1S/C10H13N/c1-8(2)10-5-4-6-11-9(3)7-10/h4-5,7-8H,1-3H3
InChIKeyKWRQJZLGAVVEJG-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
N-(2-methylhexa-3,5-dien-3-yl)prop-1-en-1-imine
CID 90908708
3-ethyl-N-(4-methylhex-2-en-3-yl)penta-1,3,4-trien-1-imine
CID 123326474
2,3-Di(propan-2-yl)-1-azacyclohepta-2,4,6,7-tetraene
CID 124201092
2,3-Dimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 124201196
3,4-Dimethyl-6-propan-2-yl-1-azacyclohepta-1,2,4,6-tetraene
CID 126647694
3-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]butan-2-imine
CID 126709243
N-[(3Z)-2,5-dimethylhexa-3,5-dien-3-yl]-3-methylbutan-2-imine
CID 129067903
N-[(2Z,4Z)-4-propan-2-ylhexa-2,4-dien-2-yl]methanimine
CID 129194065
5-Propan-2-yl-1-azacyclohepta-2,4,6,7-tetraen-2-amine
CID 130368208
4-Propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene
CID 130369238
N-[(3Z,5E)-6,7-dimethylocta-3,5-dien-3-yl]methanimine
CID 130473778

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene?
The IUPAC name of 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene (CID 134267172) is 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene.
What is the SMILES notation for 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene?
The canonical SMILES for 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene is CC1=CC(C(C)C)=CC=C=N1.
What is the InChIKey of 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene?
The InChIKey is KWRQJZLGAVVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-8(2)10-5-4-6-11-9(3)7-10/h4-5,7-8H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene?
2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene has a molecular weight of 147.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-1-azacyclohepta-2,4,6,7-tetraene is sourced from PubChem (CID 134267172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).