3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine

C15H19N — CID 174012783

IUPAC3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(C2=CC=C[C@H](C)C2)C=CCC(N)=C1
InChIInChI=1S/C15H19N/c1-11-5-3-6-13(9-11)15-8-4-7-14(16)10-12(15)2/h3-6,8,10-11H,7,9,16H2,1-2H3/t11-/m0/s1
InChIKeyQXBMAZWJWHSDHA-NSHDSACASA-N
MW213.32 g/mol
LogP3.63
Rot. Bonds1

About 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine

3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine (PubChem CID 174012783) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine
PubChem CID174012783
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(C2=CC=C[C@H](C)C2)C=CCC(N)=C1
InChIInChI=1S/C15H19N/c1-11-5-3-6-13(9-11)15-8-4-7-14(16)10-12(15)2/h3-6,8,10-11H,7,9,16H2,1-2H3/t11-/m0/s1
InChIKeyQXBMAZWJWHSDHA-NSHDSACASA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine (CID 174012783) is 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine is CC1=C(C2=CC=C[C@H](C)C2)C=CCC(N)=C1.
What is the InChIKey of 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine?
The InChIKey is QXBMAZWJWHSDHA-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N/c1-11-5-3-6-13(9-11)15-8-4-7-14(16)10-12(15)2/h3-6,8,10-11H,7,9,16H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine?
3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine has a molecular weight of 213.32 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(5R)-5-methylcyclohexa-1,3-dien-1-yl]cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 174012783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).