[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol

C15H32N2O — CID 79641023

IUPAC[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)C(CC)CC)C1
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)17(4)14-9-8-10-15(11-14,12-18)16-7-3/h13-14,16,18H,5-12H2,1-4H3
InChIKeyAANORIWHKPSSDJ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.39
Rot. Bonds7

About [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol

[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol (PubChem CID 79641023) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
PubChem CID79641023
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)C(CC)CC)C1
InChIInChI=1S/C15H32N2O/c1-5-13(6-2)17(4)14-9-8-10-15(11-14,12-18)16-7-3/h13-14,16,18H,5-12H2,1-4H3
InChIKeyAANORIWHKPSSDJ-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol (CID 79641023) is [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol is CCNC1(CO)CCCC(N(C)C(CC)CC)C1.
What is the InChIKey of [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol?
The InChIKey is AANORIWHKPSSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-13(6-2)17(4)14-9-8-10-15(11-14,12-18)16-7-3/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol?
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol has a molecular weight of 256.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79641023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).