N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H25N — CID 63512835

IUPACN-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CC(C)CCc2c(C)ccc(C)c21
InChIInChI=1S/C16H25N/c1-5-17-15-10-11(2)6-9-14-12(3)7-8-13(4)16(14)15/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyZPJMNORBAMLTAN-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.93
Rot. Bonds2

About N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63512835) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63512835
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CC(C)CCc2c(C)ccc(C)c21
InChIInChI=1S/C16H25N/c1-5-17-15-10-11(2)6-9-14-12(3)7-8-13(4)16(14)15/h7-8,11,15,17H,5-6,9-10H2,1-4H3
InChIKeyZPJMNORBAMLTAN-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63512835) is N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCNC1CC(C)CCc2c(C)ccc(C)c21.
What is the InChIKey of N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is ZPJMNORBAMLTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-5-17-15-10-11(2)6-9-14-12(3)7-8-13(4)16(14)15/h7-8,11,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 231.38 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63512835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).