[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol

C16H32N2O — CID 64622380

IUPAC[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCCC(C2CC2)C1
InChIInChI=1S/C16H32N2O/c1-3-18(4-2)11-10-17-16(13-19)9-5-6-15(12-16)14-7-8-14/h14-15,17,19H,3-13H2,1-2H3
InChIKeyIAZUDDHJFGPXHA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds8

About [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol

[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol (PubChem CID 64622380) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
PubChem CID64622380
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol
SMILESCCN(CC)CCNC1(CO)CCCC(C2CC2)C1
InChIInChI=1S/C16H32N2O/c1-3-18(4-2)11-10-17-16(13-19)9-5-6-15(12-16)14-7-8-14/h14-15,17,19H,3-13H2,1-2H3
InChIKeyIAZUDDHJFGPXHA-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The IUPAC name of [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol (CID 64622380) is [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol is CCN(CC)CCNC1(CO)CCCC(C2CC2)C1.
What is the InChIKey of [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
The InChIKey is IAZUDDHJFGPXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-18(4-2)11-10-17-16(13-19)9-5-6-15(12-16)14-7-8-14/h14-15,17,19H,3-13H2,1-2H3.
What are the key properties of [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol?
[3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-[2-(diethylamino)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 64622380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).