[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol

C15H30N2O — CID 102789457

IUPAC[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCC(CN)(CN2CCC(C)C2CO)CC1
InChIInChI=1S/C15H30N2O/c1-12-3-6-15(10-16,7-4-12)11-17-8-5-13(2)14(17)9-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyMJHICKDVQVDWPB-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.84
Rot. Bonds4

About [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol

[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789457) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789457
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCC(CN)(CN2CCC(C)C2CO)CC1
InChIInChI=1S/C15H30N2O/c1-12-3-6-15(10-16,7-4-12)11-17-8-5-13(2)14(17)9-18/h12-14,18H,3-11,16H2,1-2H3
InChIKeyMJHICKDVQVDWPB-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[2-(3-azaspiro[5.5]undecan-9-yl)ethyl]pyrrolidin-2-yl]methanol
CID 171484881
[(2S)-1-(3-azaspiro[5.5]undecan-9-ylmethyl)pyrrolidin-2-yl]methanol
CID 176883597
[(2S)-1-(3-azaspiro[5.5]undecan-9-ylmethyl)pyrrolidin-2-yl]methanol;hydrochloride
CID 177753322
[1-[(2-Amino-5-ethylcyclohexyl)methyl]pyrrolidin-2-yl]methanol
CID 55137292
[1-[2-(Aminomethyl)-5-tert-butylcyclohexyl]pyrrolidin-2-yl]methanol
CID 61407476
[1-[2-(Aminomethyl)-5-(2-methylbutan-2-yl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407518
[1-[2-(Aminomethyl)cyclohexyl]pyrrolidin-2-yl]methanol
CID 61407519
[1-[2-(Aminomethyl)-5-methylcyclohexyl]pyrrolidin-2-yl]methanol
CID 61407521
[1-[2-(Aminomethyl)-5-ethylcyclohexyl]pyrrolidin-2-yl]methanol
CID 61407566
[1-[2-(Aminomethyl)-5-propylcyclohexyl]pyrrolidin-2-yl]methanol
CID 61407567
[1-[2-Ethyl-2-(methylaminomethyl)butyl]pyrrolidin-2-yl]methanol
CID 62258942
[1-[[1-(Methylaminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]methanol
CID 62259291

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102789457) is [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCC(CN)(CN2CCC(C)C2CO)CC1.
What is the InChIKey of [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is MJHICKDVQVDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-3-6-15(10-16,7-4-12)11-17-8-5-13(2)14(17)9-18/h12-14,18H,3-11,16H2,1-2H3.
What are the key properties of [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 254.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(aminomethyl)-4-methylcyclohexyl]methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).