5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde

C24H37NO2 — CID 163427702

IUPAC5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
SMILESCCOc1ccc(C2CCC(C3CCC(C(N)CC)CC3)CC2)cc1C=O
InChIInChI=1S/C24H37NO2/c1-3-23(25)20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-13-14-24(27-4-2)22(15-21)16-26/h13-20,23H,3-12,25H2,1-2H3
InChIKeyANYATYCNUJQUSZ-UHFFFAOYSA-N
MW371.57 g/mol
LogP5.72
Rot. Bonds7

About 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde

5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde (PubChem CID 163427702) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde.

Molecular Properties

Compound Name5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
PubChem CID163427702
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde
SMILESCCOc1ccc(C2CCC(C3CCC(C(N)CC)CC3)CC2)cc1C=O
InChIInChI=1S/C24H37NO2/c1-3-23(25)20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-13-14-24(27-4-2)22(15-21)16-26/h13-20,23H,3-12,25H2,1-2H3
InChIKeyANYATYCNUJQUSZ-UHFFFAOYSA-N
XLogP5.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-methoxyphenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 126539512
2-methoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzaldehyde
CID 145059874
1-[4-[4-[4-(3-methoxypropoxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 143707745
1-[4-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 126586754
1-[4-[4-(2-methoxyethoxy)phenyl]cyclohexyl]propan-1-amine
CID 143707742
1-[4-[4-[4-(4-methoxypentan-2-yloxy)phenyl]cyclohexyl]cyclohexyl]propan-1-amine
CID 154558214
2-(5-hydroxypentoxy)-5-(4-pentylcyclohexyl)benzaldehyde
CID 169019412
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
2-ethoxy-5-hydrazinylbenzaldehyde
CID 131214024
4-(3,4-diethoxyphenyl)cyclohexan-1-ol
CID 116989261
1-[4-(4-methoxycyclohexyl)cyclohexyl]propan-1-amine
CID 126539680
1-cyclopropyl-2-(3-ethoxy-4-nitrophenyl)ethanamine
CID 63677767

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde?
The IUPAC name of 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde (CID 163427702) is 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde.
What is the SMILES notation for 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde?
The canonical SMILES for 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde is CCOc1ccc(C2CCC(C3CCC(C(N)CC)CC3)CC2)cc1C=O.
What is the InChIKey of 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde?
The InChIKey is ANYATYCNUJQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO2/c1-3-23(25)20-11-9-18(10-12-20)17-5-7-19(8-6-17)21-13-14-24(27-4-2)22(15-21)16-26/h13-20,23H,3-12,25H2,1-2H3.
What are the key properties of 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde?
5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde has a molecular weight of 371.57 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-aminopropyl)cyclohexyl]cyclohexyl]-2-ethoxybenzaldehyde is sourced from PubChem (CID 163427702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).