1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol

C16H32N2O — CID 81328585

IUPAC1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)C1CCCCC1NCC(O)CN1CCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)15-7-3-4-8-16(15)17-11-14(19)12-18-9-5-6-10-18/h13-17,19H,3-12H2,1-2H3
InChIKeyXDCRIVOWDQCRGG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.25
Rot. Bonds6

About 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 81328585) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID81328585
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCC(C)C1CCCCC1NCC(O)CN1CCCC1
InChIInChI=1S/C16H32N2O/c1-13(2)15-7-3-4-8-16(15)17-11-14(19)12-18-9-5-6-10-18/h13-17,19H,3-12H2,1-2H3
InChIKeyXDCRIVOWDQCRGG-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
1-[(2,3-dimethylcyclopentyl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 64909797
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 55141526
1-(azepan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165749
1-(azocan-1-yl)-3-(cyclopropylamino)propan-2-ol
CID 43165880
2-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclohexan-1-ol
CID 62360030
1-[[(1R)-1-cyclopentylethyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 81396165
ethyl 3-hydroxy-4-[(2-propan-2-ylcyclohexyl)amino]butanoate
CID 103261980
(2S)-1-(cyclohexylamino)-3-[4-[(2S)-3-(cyclohexylamino)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 7446257
5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 63464522
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
1-(4-methylpiperidin-1-yl)-3-[(2-methylsulfonylcyclohexyl)amino]propan-2-ol
CID 75471733

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 81328585) is 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol is CC(C)C1CCCCC1NCC(O)CN1CCCC1.
What is the InChIKey of 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is XDCRIVOWDQCRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)15-7-3-4-8-16(15)17-11-14(19)12-18-9-5-6-10-18/h13-17,19H,3-12H2,1-2H3.
What are the key properties of 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 268.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-ylcyclohexyl)amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 81328585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).