1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol

C17H29NO — CID 19608986

IUPAC1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
SMILESCC(N(C)C)C(O)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H29NO/c1-14(18(2)3)17(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h10,12,14,19H,4-9,11,13H2,1-3H3
InChIKeyFDRCBVYWASXABC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.67
Rot. Bonds4

About 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol

1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol (PubChem CID 19608986) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol.

Molecular Properties

Compound Name1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
PubChem CID19608986
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol
SMILESCC(N(C)C)C(O)(C1=CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H29NO/c1-14(18(2)3)17(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h10,12,14,19H,4-9,11,13H2,1-3H3
InChIKeyFDRCBVYWASXABC-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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)-2-(dimethylamino)propan-1-ol?
The IUPAC name of 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol (CID 19608986) is 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol.
What is the SMILES notation for 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol?
The canonical SMILES for 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol is CC(N(C)C)C(O)(C1=CCCCC1)C1=CCCCC1.
What is the InChIKey of 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol?
The InChIKey is FDRCBVYWASXABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(18(2)3)17(19,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h10,12,14,19H,4-9,11,13H2,1-3H3.
What are the key properties of 1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol?
1,1-di(cyclohexen-1-yl)-2-(dimethylamino)propan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.67, 4 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)-2-(dimethylamino)propan-1-ol is sourced from PubChem (CID 19608986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).