1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol

C13H28N2O — CID 43165783

IUPAC1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN(CC)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-3-14-10-13(16)11-15(4-2)12-8-6-5-7-9-12/h12-14,16H,3-11H2,1-2H3
InChIKeyVYQGDQUCMVKFPN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds7

About 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol

1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol (PubChem CID 43165783) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
PubChem CID43165783
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CN(CC)C1CCCCC1
InChIInChI=1S/C13H28N2O/c1-3-14-10-13(16)11-15(4-2)12-8-6-5-7-9-12/h12-14,16H,3-11H2,1-2H3
InChIKeyVYQGDQUCMVKFPN-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

1-[cyclopentyl(ethyl)amino]butan-2-ol
CID 60886562
1-amino-3-[cyclopentyl(ethyl)amino]propan-2-ol
CID 43541005
1-[cyclohexyl(ethyl)amino]-3-phenylpropan-2-ol
CID 112811309
N,N-diethylcycloundecanamine
CID 163828609
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
(2S)-1-(1-adamantylmethoxy)-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 41474577
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104
1-[cyclopropyl(propyl)amino]-3-(propylamino)propan-2-ol
CID 43270304
1-N-cyclohexyl-1-N-ethylbutane-1,2-diamine
CID 43649724
2-N-cyclopentyl-1-N,2-N-diethylpropane-1,2-diamine
CID 62421955
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]propan-2-ol
CID 55004070

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol (CID 43165783) is 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol is CCNCC(O)CN(CC)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol?
The InChIKey is VYQGDQUCMVKFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-14-10-13(16)11-15(4-2)12-8-6-5-7-9-12/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol?
1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(ethyl)amino]-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 43165783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).