(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol

C14H28N2O — CID 58689270

IUPAC(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
SMILESCNCC1(N2CC[C@H](O)C2)CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-7-14(8-6-13,11-15-3)16-9-4-12(17)10-16/h12,15,17H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyWNYDRIZDCICROB-LBPRGKRZSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds3

About (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol

(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol (PubChem CID 58689270) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
PubChem CID58689270
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol
SMILESCNCC1(N2CC[C@H](O)C2)CCC(C)(C)CC1
InChIInChI=1S/C14H28N2O/c1-13(2)5-7-14(8-6-13,11-15-3)16-9-4-12(17)10-16/h12,15,17H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyWNYDRIZDCICROB-LBPRGKRZSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3-Dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
CID 23190298
1-[(4,4-Dimethylpiperidin-2-yl)methyl]pyrrolidin-3-ol
CID 23190313
(3S)-1-[[(2S)-4,4-dimethylpiperidin-2-yl]methyl]pyrrolidin-3-ol
CID 56981694
1-[(3S)-3-hydroxypyrrolidin-1-yl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 58689170
(3S)-1-(1,4,4-trimethylcyclohexyl)pyrrolidin-3-ol
CID 58689258
1-(1,4,4-Trimethylcyclohexyl)pyrrolidin-3-ol
CID 72392867
(3S)-1-[(2S)-2-cyclohexyl-2-(methylamino)ethyl]pyrrolidin-3-ol
CID 117836650
1-[[1-(Ethylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 55131553
1-[[1-[(Tert-butylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol
CID 55131554
1-[[1-(Methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 62941919
1-[[1-(Propylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
CID 62942097
1-[[1-[(Propan-2-ylamino)methyl]cyclohexyl]methyl]pyrrolidin-3-ol
CID 62942098

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol (CID 58689270) is (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol is CNCC1(N2CC[C@H](O)C2)CCC(C)(C)CC1.
What is the InChIKey of (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol?
The InChIKey is WNYDRIZDCICROB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-13(2)5-7-14(8-6-13,11-15-3)16-9-4-12(17)10-16/h12,15,17H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol?
(3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4,4-dimethyl-1-(methylaminomethyl)cyclohexyl]pyrrolidin-3-ol is sourced from PubChem (CID 58689270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).