1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine

C17H25N — CID 117360955

IUPAC1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
SMILESNC1(c2ccc3c(c2)CCCCC3)CCCCC1
InChIInChI=1S/C17H25N/c18-17(11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-15(14)13-16/h9-10,13H,1-8,11-12,18H2
InChIKeyCQTPEBLPMGVODC-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.07
Rot. Bonds1

About 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine

1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine (PubChem CID 117360955) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
PubChem CID117360955
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
SMILESNC1(c2ccc3c(c2)CCCCC3)CCCCC1
InChIInChI=1S/C17H25N/c18-17(11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-15(14)13-16/h9-10,13H,1-8,11-12,18H2
InChIKeyCQTPEBLPMGVODC-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine?
The IUPAC name of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine (CID 117360955) is 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine is NC1(c2ccc3c(c2)CCCCC3)CCCCC1.
What is the InChIKey of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine?
The InChIKey is CQTPEBLPMGVODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c18-17(11-5-2-6-12-17)16-10-9-14-7-3-1-4-8-15(14)13-16/h9-10,13H,1-8,11-12,18H2.
What are the key properties of 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine?
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 117360955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).