5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

C24H39NO2 — CID 71623611

IUPAC5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCCCC1CCC(c2ccc(CCC3(N)COC(C)(C)OC3)cc2)CC1
InChIInChI=1S/C24H39NO2/c1-4-5-6-19-7-11-21(12-8-19)22-13-9-20(10-14-22)15-16-24(25)17-26-23(2,3)27-18-24/h9-10,13-14,19,21H,4-8,11-12,15-18,25H2,1-3H3
InChIKeyMGHWHWIZJFLADW-UHFFFAOYSA-N
MW373.58 g/mol
LogP5.56
Rot. Bonds7

About 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine

5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 71623611) has the molecular formula C24H39NO2 and a molecular weight of 373.58 g/mol. Its IUPAC name is 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID71623611
Molecular FormulaC24H39NO2
Molecular Weight373.58 g/mol
Exact Mass373.30
IUPAC Name5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCCCCC1CCC(c2ccc(CCC3(N)COC(C)(C)OC3)cc2)CC1
InChIInChI=1S/C24H39NO2/c1-4-5-6-19-7-11-21(12-8-19)22-13-9-20(10-14-22)15-16-24(25)17-26-23(2,3)27-18-24/h9-10,13-14,19,21H,4-8,11-12,15-18,25H2,1-3H3
InChIKeyMGHWHWIZJFLADW-UHFFFAOYSA-N
XLogP5.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine with MolForge

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Related Compounds

1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-butyl-4-[[4-(4-butylcyclohexyl)phenyl]sulfanylmethyl]benzene
CID 54025761
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-ethylbenzene
CID 139724448
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine (CID 71623611) is 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is CCCCC1CCC(c2ccc(CCC3(N)COC(C)(C)OC3)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is MGHWHWIZJFLADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO2/c1-4-5-6-19-7-11-21(12-8-19)22-13-9-20(10-14-22)15-16-24(25)17-26-23(2,3)27-18-24/h9-10,13-14,19,21H,4-8,11-12,15-18,25H2,1-3H3.
What are the key properties of 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine?
5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 373.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-butylcyclohexyl)phenyl]ethyl]-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 71623611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).