[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol

C16H32N2O — CID 102789598

IUPAC[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC(C)C1CCC(N)C(CN2CCC(C)C2CO)C1
InChIInChI=1S/C16H32N2O/c1-11(2)13-4-5-15(17)14(8-13)9-18-7-6-12(3)16(18)10-19/h11-16,19H,4-10,17H2,1-3H3
InChIKeyJQWINMWFPUOZNW-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.09
Rot. Bonds4

About [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789598) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789598
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC(C)C1CCC(N)C(CN2CCC(C)C2CO)C1
InChIInChI=1S/C16H32N2O/c1-11(2)13-4-5-15(17)14(8-13)9-18-7-6-12(3)16(18)10-19/h11-16,19H,4-10,17H2,1-3H3
InChIKeyJQWINMWFPUOZNW-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]piperidin-4-yl]methanol
CID 55105780
[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061041
1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-3-ol
CID 62943988
3-[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62704351
2-(piperidin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 55208973
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
[4-[(2-amino-5-propan-2-ylcyclohexyl)methyl]morpholin-2-yl]methanol
CID 81213154
4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 102789647
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 102789651
[3-methyl-1-[[2-(methylamino)cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 102789519
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401726
4-propan-2-ylcyclohexane-1,2-diamine
CID 22415223

Frequently Asked Questions

What is the IUPAC name of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789598) is [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC(C)C1CCC(N)C(CN2CCC(C)C2CO)C1.
What is the InChIKey of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is JQWINMWFPUOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11(2)13-4-5-15(17)14(8-13)9-18-7-6-12(3)16(18)10-19/h11-16,19H,4-10,17H2,1-3H3.
What are the key properties of [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 268.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).