[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol

C17H34N2O — CID 115967160

IUPAC[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESCC1CCCC(CNC(C)C)(CN2CCC(CO)C2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)18-12-17(7-4-5-15(3)9-17)13-19-8-6-16(10-19)11-20/h14-16,18,20H,4-13H2,1-3H3
InChIKeyZGWVBUYVJMEUFE-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.50
Rot. Bonds6

About [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol

[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 115967160) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
PubChem CID115967160
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol
SMILESCC1CCCC(CNC(C)C)(CN2CCC(CO)C2)C1
InChIInChI=1S/C17H34N2O/c1-14(2)18-12-17(7-4-5-15(3)9-17)13-19-8-6-16(10-19)11-20/h14-16,18,20H,4-13H2,1-3H3
InChIKeyZGWVBUYVJMEUFE-UHFFFAOYSA-N
XLogP2.50
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol with MolForge

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Related Compounds

[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
[1-[[1-[(cyclopropylamino)methyl]-3-methylcyclohexyl]methyl]pyrrolidin-3-yl]methanol
CID 115967181
2-[1-[[4-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 114800043
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
[1-[[1-(hydroxymethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112629225
1-[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]-N-methylmethanamine
CID 103538925
[1-[(3-methoxypyrrolidin-1-yl)methyl]-3-methylcyclohexyl]methanol
CID 103539249
[1-[[1-(bromomethyl)cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628015
N-[[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55066136
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794
[1-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]piperidin-3-yl]methanol
CID 62276462

Frequently Asked Questions

What is the IUPAC name of [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol (CID 115967160) is [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol is CC1CCCC(CNC(C)C)(CN2CCC(CO)C2)C1.
What is the InChIKey of [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is ZGWVBUYVJMEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-14(2)18-12-17(7-4-5-15(3)9-17)13-19-8-6-16(10-19)11-20/h14-16,18,20H,4-13H2,1-3H3.
What are the key properties of [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol?
[1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 282.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-methyl-1-[(propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 115967160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).