3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid

C20H31NO5 — CID 24747863

IUPAC3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid
SMILESCC(C)Oc1ccc(C(CCN)C2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-14(2)20-17-10-8-16(9-11-17)18(12-13-19)15-6-4-3-5-7-15;3-1(4)2(5)6/h8-11,14-15,18H,3-7,12-13,19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWUWIKNADHIFLGU-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.64
Rot. Bonds6

About 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid

3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid (PubChem CID 24747863) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid.

Molecular Properties

Compound Name3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid
PubChem CID24747863
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC Name3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid
SMILESCC(C)Oc1ccc(C(CCN)C2CCCCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H29NO.C2H2O4/c1-14(2)20-17-10-8-16(9-11-17)18(12-13-19)15-6-4-3-5-7-15;3-1(4)2(5)6/h8-11,14-15,18H,3-7,12-13,19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWUWIKNADHIFLGU-UHFFFAOYSA-N
XLogP3.64
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid?
The IUPAC name of 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid (CID 24747863) is 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid.
What is the SMILES notation for 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid?
The canonical SMILES for 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid is CC(C)Oc1ccc(C(CCN)C2CCCCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid?
The InChIKey is WUWIKNADHIFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.C2H2O4/c1-14(2)20-17-10-8-16(9-11-17)18(12-13-19)15-6-4-3-5-7-15;3-1(4)2(5)6/h8-11,14-15,18H,3-7,12-13,19H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid?
3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid has a molecular weight of 365.47 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(4-propan-2-yloxyphenyl)propan-1-amine;oxalic acid is sourced from PubChem (CID 24747863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).