4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid

C18H25NO2 — CID 65054525

IUPAC4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)14-9-11-15(12-10-14)19-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,14-15,17,19H,2,4,6,8-12H2,(H,20,21)
InChIKeyQZUVIDNDZZFKTR-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds3

About 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid

4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 65054525) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
PubChem CID65054525
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCCc3ccccc32)CC1
InChIInChI=1S/C18H25NO2/c20-18(21)14-9-11-15(12-10-14)19-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,14-15,17,19H,2,4,6,8-12H2,(H,20,21)
InChIKeyQZUVIDNDZZFKTR-UHFFFAOYSA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
4-(2,3-dihydro-1H-indene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 119229646
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805

Frequently Asked Questions

What is the IUPAC name of 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid (CID 65054525) is 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCCCc3ccccc32)CC1.
What is the InChIKey of 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is QZUVIDNDZZFKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c20-18(21)14-9-11-15(12-10-14)19-17-8-4-2-6-13-5-1-3-7-16(13)17/h1,3,5,7,14-15,17,19H,2,4,6,8-12H2,(H,20,21).
What are the key properties of 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid?
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 287.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65054525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).