2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol

C13H29N3O — CID 64790274

IUPAC2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
SMILESCNC(C)(CO)CCN(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-13(12-17,14-2)6-9-15(3)10-11-16-7-4-5-8-16/h14,17H,4-12H2,1-3H3
InChIKeyVUENRDOICIUZCI-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds8

About 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol

2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol (PubChem CID 64790274) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
PubChem CID64790274
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
SMILESCNC(C)(CO)CCN(C)CCN1CCCC1
InChIInChI=1S/C13H29N3O/c1-13(12-17,14-2)6-9-15(3)10-11-16-7-4-5-8-16/h14,17H,4-12H2,1-3H3
InChIKeyVUENRDOICIUZCI-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
3-(azepan-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64796730
2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
4-[2-ethoxyethyl(methyl)amino]-2-methyl-2-(methylamino)butan-1-ol
CID 81064710
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol (CID 64790274) is 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol is CNC(C)(CO)CCN(C)CCN1CCCC1.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol?
The InChIKey is VUENRDOICIUZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-13(12-17,14-2)6-9-15(3)10-11-16-7-4-5-8-16/h14,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol?
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol is sourced from PubChem (CID 64790274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).