7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H27N — CID 66258639

IUPAC7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCC(C)(C)c1ccc2c(c1)C(N)CC(C)CC2
InChIInChI=1S/C17H27N/c1-5-17(3,4)14-9-8-13-7-6-12(2)10-16(18)15(13)11-14/h8-9,11-12,16H,5-7,10,18H2,1-4H3
InChIKeyWYKNVZXEOJQIRA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds2

About 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 66258639) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID66258639
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCC(C)(C)c1ccc2c(c1)C(N)CC(C)CC2
InChIInChI=1S/C17H27N/c1-5-17(3,4)14-9-8-13-7-6-12(2)10-16(18)15(13)11-14/h8-9,11-12,16H,5-7,10,18H2,1-4H3
InChIKeyWYKNVZXEOJQIRA-UHFFFAOYSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 66258639) is 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCC(C)(C)c1ccc2c(c1)C(N)CC(C)CC2.
What is the InChIKey of 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is WYKNVZXEOJQIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-5-17(3,4)14-9-8-13-7-6-12(2)10-16(18)15(13)11-14/h8-9,11-12,16H,5-7,10,18H2,1-4H3.
What are the key properties of 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 245.41 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 66258639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).