1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol

C13H27N3O — CID 79314199

IUPAC1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1CCCN1C
InChIInChI=1S/C13H27N3O/c1-15(9-12-4-3-7-16(12)2)10-13(17)8-14-11-5-6-11/h11-14,17H,3-10H2,1-2H3
InChIKeyDVYSQORSPKXSRK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.13
Rot. Bonds7

About 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol

1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol (PubChem CID 79314199) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
PubChem CID79314199
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
SMILESCN(CC(O)CNC1CC1)CC1CCCN1C
InChIInChI=1S/C13H27N3O/c1-15(9-12-4-3-7-16(12)2)10-13(17)8-14-11-5-6-11/h11-14,17H,3-10H2,1-2H3
InChIKeyDVYSQORSPKXSRK-UHFFFAOYSA-N
XLogP0.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 103935244
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pentan-2-ol
CID 79315558
N-cyclopropyl-N'-methyl-2-methylidene-N'-[(1-methylpyrrolidin-2-yl)methyl]propane-1,3-diamine
CID 103070924
1-(1-methoxypropan-2-yloxy)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol
CID 106992139
1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 43272018
1-(cyclopropylamino)-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
CID 63726987
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 79319228
1-(cyclopropylamino)-3-[methyl(oxan-2-ylmethyl)amino]propan-2-ol
CID 61431345
1-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63695532
2-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propanenitrile
CID 79314144
1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]propan-2-ol
CID 63693072
2-(bromomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 79319460

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol (CID 79314199) is 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol is CN(CC(O)CNC1CC1)CC1CCCN1C.
What is the InChIKey of 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol?
The InChIKey is DVYSQORSPKXSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(9-12-4-3-7-16(12)2)10-13(17)8-14-11-5-6-11/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol?
1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol has a molecular weight of 241.38 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 79314199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).