1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol

C24H31NO2 — CID 129247626

IUPAC1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
SMILESOC1(COC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31NO2/c26-24(15-16-24)19-27-23-13-11-22(12-14-23)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19H2
InChIKeyKASQKXJLNWBIAE-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.54
Rot. Bonds8

About 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol

1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol (PubChem CID 129247626) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
PubChem CID129247626
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol
SMILESOC1(COC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H31NO2/c26-24(15-16-24)19-27-23-13-11-22(12-14-23)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19H2
InChIKeyKASQKXJLNWBIAE-UHFFFAOYSA-N
XLogP4.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol?
The IUPAC name of 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol (CID 129247626) is 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol is OC1(COC2CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol?
The InChIKey is KASQKXJLNWBIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c26-24(15-16-24)19-27-23-13-11-22(12-14-23)25(17-20-7-3-1-4-8-20)18-21-9-5-2-6-10-21/h1-10,22-23,26H,11-19H2.
What are the key properties of 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol?
1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol has a molecular weight of 365.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dibenzylamino)cyclohexyl]oxymethyl]cyclopropan-1-ol is sourced from PubChem (CID 129247626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).