[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol

C13H28N2O — CID 79635385

IUPAC[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCN(C)C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-5-15(4)12-7-6-8-13(9-12,10-16)14-11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyKTNGQZYMPPVJJD-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds5

About [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol

[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79635385) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79635385
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCN(C)C1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C13H28N2O/c1-5-15(4)12-7-6-8-13(9-12,10-16)14-11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyKTNGQZYMPPVJJD-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79635385) is [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is CCN(C)C1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is KTNGQZYMPPVJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15(4)12-7-6-8-13(9-12,10-16)14-11(2)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79635385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).