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

C10H23N3O — CID 64788626

IUPAC2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CC(N)CO)C1
InChIInChI=1S/C10H23N3O/c1-12-4-3-9(5-12)6-13(2)7-10(11)8-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyBSCHENBNVZUXDN-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.81
Rot. Bonds5

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

2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol (PubChem CID 64788626) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
PubChem CID64788626
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
SMILESCN1CCC(CN(C)CC(N)CO)C1
InChIInChI=1S/C10H23N3O/c1-12-4-3-9(5-12)6-13(2)7-10(11)8-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyBSCHENBNVZUXDN-UHFFFAOYSA-N
XLogP-0.81
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propan-1-ol
CID 64789672
3-amino-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butan-1-ol
CID 64897294
1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]pentane-1,2-diamine
CID 63232951
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
2-[[methyl-[(1-methylpiperidin-3-yl)methyl]amino]methyl]butan-1-ol
CID 115250966
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]hexane-1,4-diamine
CID 106799840
3-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-1-ol
CID 115137663
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol (CID 64788626) is 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol is CN1CCC(CN(C)CC(N)CO)C1.
What is the InChIKey of 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol?
The InChIKey is BSCHENBNVZUXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-12-4-3-9(5-12)6-13(2)7-10(11)8-14/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol?
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol has a molecular weight of 201.31 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 64788626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).