2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol

C15H30N2O — CID 55128147

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCCC2CN(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12-6-7-15(18)13(9-12)10-17-8-4-5-14(17)11-16(2)3/h12-15,18H,4-11H2,1-3H3
InChIKeyBELQBTNSAOBKOV-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.81
Rot. Bonds4

About 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol (PubChem CID 55128147) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
PubChem CID55128147
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CN2CCCC2CN(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12-6-7-15(18)13(9-12)10-17-8-4-5-14(17)11-16(2)3/h12-15,18H,4-11H2,1-3H3
InChIKeyBELQBTNSAOBKOV-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 79313488
4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
2-[(3-ethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 55094390
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
CID 66010510
[1-[(2-amino-5-methylcyclohexyl)methyl]piperidin-2-yl]methanol
CID 62609486
4-methyl-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 62609711
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-N,2,2-trimethylcyclopentan-1-amine
CID 79855490
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propan-2-one
CID 62888278
2-[(2,5-dimethylmorpholin-4-yl)methyl]-4-methylcyclohexan-1-ol
CID 62610594
4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 55094860

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol (CID 55128147) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)C(CN2CCCC2CN(C)C)C1.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is BELQBTNSAOBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-6-7-15(18)13(9-12)10-17-8-4-5-14(17)11-16(2)3/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 254.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 55128147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).