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

C14H30N2O — CID 62890251

IUPAC2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C14H30N2O/c1-5-8-14(2,12-17)11-16-9-6-7-13(16)10-15(3)4/h13,17H,5-12H2,1-4H3
InChIKeyZKMXVUKKKJKDSW-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.81
Rot. Bonds7

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

2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol (PubChem CID 62890251) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
PubChem CID62890251
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
SMILESCCCC(C)(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C14H30N2O/c1-5-8-14(2,12-17)11-16-9-6-7-13(16)10-15(3)4/h13,17H,5-12H2,1-4H3
InChIKeyZKMXVUKKKJKDSW-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
1-[1-[2-(bromomethyl)-2-propylpentyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 65005084
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788594
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114495592
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-2-yl]methanol
CID 62260314
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-ethylbutan-1-amine
CID 62889896
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761
5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106808690
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
CID 62266189
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
2-[1-[2-methyl-2-[(propan-2-ylamino)methyl]pentyl]piperidin-2-yl]ethanol
CID 62261558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The IUPAC name of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol (CID 62890251) is 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The canonical SMILES for 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol is CCCC(C)(CO)CN1CCCC1CN(C)C.
What is the InChIKey of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
The InChIKey is ZKMXVUKKKJKDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-8-14(2,12-17)11-16-9-6-7-13(16)10-15(3)4/h13,17H,5-12H2,1-4H3.
What are the key properties of 2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol?
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.81, 7 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]-2-methylpentan-1-ol is sourced from PubChem (CID 62890251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).