3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol

C14H31N3O — CID 64788594

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)15-14(3,11-18)10-17-8-6-7-13(17)9-16(4)5/h12-13,15,18H,6-11H2,1-5H3
InChIKeyCHCFXMOTNSHFTM-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds7

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64788594) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64788594
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C14H31N3O/c1-12(2)15-14(3,11-18)10-17-8-6-7-13(17)9-16(4)5/h12-13,15,18H,6-11H2,1-5H3
InChIKeyCHCFXMOTNSHFTM-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 79317752
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
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-2-methylpentan-1-ol
CID 62890251
2-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)-2-methylpropan-1-ol
CID 64790954
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361
3-(4-cyclopentylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64788217
2-methyl-3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(propan-2-ylamino)propan-1-ol
CID 79925008
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64787038
3-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64790955
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64826400

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64788594) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is CHCFXMOTNSHFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-12(2)15-14(3,11-18)10-17-8-6-7-13(17)9-16(4)5/h12-13,15,18H,6-11H2,1-5H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64788594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).