1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol

C17H29NO — CID 54563448

IUPAC1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H29NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h9,11,19H,3-8,10,12-14H2,1-2H3
InChIKeyZSEHVVVHHPMZSM-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.67
Rot. Bonds5

About 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol

1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol (PubChem CID 54563448) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol
PubChem CID54563448
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol
SMILESCN(C)CCC(O)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H29NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h9,11,19H,3-8,10,12-14H2,1-2H3
InChIKeyZSEHVVVHHPMZSM-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol?
The IUPAC name of 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol (CID 54563448) is 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol?
The canonical SMILES for 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol is CN(C)CCC(O)(C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol?
The InChIKey is ZSEHVVVHHPMZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-18(2)14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h9,11,19H,3-8,10,12-14H2,1-2H3.
What are the key properties of 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol?
1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclohexen-1-yl)-3-(dimethylamino)propan-1-ol is sourced from PubChem (CID 54563448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).