3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C17H25N — CID 55223849

IUPAC3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1CCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C17H25N/c18-17-9-5-4-8-14-10-11-15(12-16(14)17)13-6-2-1-3-7-13/h10-13,17H,1-9,18H2
InChIKeyIWTNEJVMKMSYAA-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.46
Rot. Bonds1

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

3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 55223849) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID55223849
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESNC1CCCCc2ccc(C3CCCCC3)cc21
InChIInChI=1S/C17H25N/c18-17-9-5-4-8-14-10-11-15(12-16(14)17)13-6-2-1-3-7-13/h10-13,17H,1-9,18H2
InChIKeyIWTNEJVMKMSYAA-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-7-cyclohexyl-1,2,3,4-tetrahydronaphthalene
CID 63512844
3-cyclohexyl-N-ethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63515103
1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 21256693
(1R)-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55277801
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
6-cyclohexyl-1,2,3,4-tetrahydroanthracene
CID 141269352
7-cyclohexyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63512491
(5S)-3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014278
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273
3,6-dicyclohexyl-9H-fluorene
CID 87146028
(NE)-N-(7-cyclohexyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 87840438

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 55223849) is 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is NC1CCCCc2ccc(C3CCCCC3)cc21.
What is the InChIKey of 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IWTNEJVMKMSYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c18-17-9-5-4-8-14-10-11-15(12-16(14)17)13-6-2-1-3-7-13/h10-13,17H,1-9,18H2.
What are the key properties of 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 243.39 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 55223849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).