N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C14H21N — CID 62730070

IUPACN,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CCCCc2c(C)cc(C)cc21
InChIInChI=1S/C14H21N/c1-10-8-11(2)12-6-4-5-7-14(15-3)13(12)9-10/h8-9,14-15H,4-7H2,1-3H3
InChIKeyCCNLZMLNGUDULS-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.29
Rot. Bonds1

About N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 62730070) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound NameN,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID62730070
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCNC1CCCCc2c(C)cc(C)cc21
InChIInChI=1S/C14H21N/c1-10-8-11(2)12-6-4-5-7-14(15-3)13(12)9-10/h8-9,14-15H,4-7H2,1-3H3
InChIKeyCCNLZMLNGUDULS-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 62730070) is N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CNC1CCCCc2c(C)cc(C)cc21.
What is the InChIKey of N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is CCNLZMLNGUDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-8-11(2)12-6-4-5-7-14(15-3)13(12)9-10/h8-9,14-15H,4-7H2,1-3H3.
What are the key properties of N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 203.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 62730070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).