2-(1-aminocyclopentyl)-4-methylbenzaldehyde

C13H17NO — CID 117291966

IUPAC2-(1-aminocyclopentyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17NO/c1-10-4-5-11(9-15)12(8-10)13(14)6-2-3-7-13/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeySBDXTUOJFVJUEF-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.54
Rot. Bonds2

About 2-(1-aminocyclopentyl)-4-methylbenzaldehyde

2-(1-aminocyclopentyl)-4-methylbenzaldehyde (PubChem CID 117291966) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-methylbenzaldehyde
PubChem CID117291966
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-(1-aminocyclopentyl)-4-methylbenzaldehyde
SMILESCc1ccc(C=O)c(C2(N)CCCC2)c1
InChIInChI=1S/C13H17NO/c1-10-4-5-11(9-15)12(8-10)13(14)6-2-3-7-13/h4-5,8-9H,2-3,6-7,14H2,1H3
InChIKeySBDXTUOJFVJUEF-UHFFFAOYSA-N
XLogP2.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclopentyl)-4-hydroxybenzaldehyde
CID 117293459
2-(1-aminocyclohexyl)-4-fluorobenzaldehyde
CID 117315954
1-(2-fluoro-5-methylphenyl)cyclopentan-1-amine
CID 62788352
1-(2-formyl-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117292393
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-(5-methyl-2-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117368710
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
1-[2-(cyclobutylmethoxy)-5-methylphenyl]cyclohexan-1-amine
CID 117436613
1-amino-7-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908725
2-(2-aminopropan-2-yl)-4-methylbenzaldehyde
CID 117277629

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-methylbenzaldehyde?
The IUPAC name of 2-(1-aminocyclopentyl)-4-methylbenzaldehyde (CID 117291966) is 2-(1-aminocyclopentyl)-4-methylbenzaldehyde.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-methylbenzaldehyde?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-methylbenzaldehyde is Cc1ccc(C=O)c(C2(N)CCCC2)c1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-methylbenzaldehyde?
The InChIKey is SBDXTUOJFVJUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-4-5-11(9-15)12(8-10)13(14)6-2-3-7-13/h4-5,8-9H,2-3,6-7,14H2,1H3.
What are the key properties of 2-(1-aminocyclopentyl)-4-methylbenzaldehyde?
2-(1-aminocyclopentyl)-4-methylbenzaldehyde has a molecular weight of 203.29 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-methylbenzaldehyde is sourced from PubChem (CID 117291966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).