[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol

C16H34N2O2 — CID 81065200

IUPAC[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(C)CCOC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-5-9-17-16(13-19)8-6-7-15(12-16)18(4)10-11-20-14(2)3/h14-15,17,19H,5-13H2,1-4H3
InChIKeyYWDVQQJXQPXSSS-UHFFFAOYSA-N
MW286.46 g/mol
LogP2.02
Rot. Bonds9

About [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol

[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol (PubChem CID 81065200) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
PubChem CID81065200
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol
SMILESCCCNC1(CO)CCCC(N(C)CCOC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-5-9-17-16(13-19)8-6-7-15(12-16)18(4)10-11-20-14(2)3/h14-15,17,19H,5-13H2,1-4H3
InChIKeyYWDVQQJXQPXSSS-UHFFFAOYSA-N
XLogP2.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylic acid
CID 81074828
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 81061361
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 81065074
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
methyl 1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carboxylate
CID 81044395
1-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]cyclohexane-1-carbonitrile
CID 81062280
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810
[3-[2-(dimethylamino)ethyl-methylamino]-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635513

Frequently Asked Questions

What is the IUPAC name of [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol?
The IUPAC name of [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol (CID 81065200) is [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol is CCCNC1(CO)CCCC(N(C)CCOC(C)C)C1.
What is the InChIKey of [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol?
The InChIKey is YWDVQQJXQPXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-5-9-17-16(13-19)8-6-7-15(12-16)18(4)10-11-20-14(2)3/h14-15,17,19H,5-13H2,1-4H3.
What are the key properties of [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol?
[3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol has a molecular weight of 286.46 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(2-propan-2-yloxyethyl)amino]-1-(propylamino)cyclohexyl]methanol is sourced from PubChem (CID 81065200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).