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

C8H18N2O — CID 104556943

IUPAC2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
SMILESCC(CO)N(C)C1CCNC1
InChIInChI=1S/C8H18N2O/c1-7(6-11)10(2)8-3-4-9-5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyJCFZYAINJDQSBR-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.34
Rot. Bonds3

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

2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol (PubChem CID 104556943) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
PubChem CID104556943
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
SMILESCC(CO)N(C)C1CCNC1
InChIInChI=1S/C8H18N2O/c1-7(6-11)10(2)8-3-4-9-5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyJCFZYAINJDQSBR-UHFFFAOYSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
ethyl 2-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 63301878
N-[1-(4-fluorophenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 114794765
2-[methyl(pyrrolidin-3-yl)amino]pentanoic acid
CID 83049954
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-(1-methoxypropan-2-yl)-N-methylazepan-3-amine
CID 62642462
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
methyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]butanoate
CID 79414659
N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
2-[methyl(oxolan-3-yl)amino]propan-1-ol
CID 115773290

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol (CID 104556943) is 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol is CC(CO)N(C)C1CCNC1.
What is the InChIKey of 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol?
The InChIKey is JCFZYAINJDQSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-7(6-11)10(2)8-3-4-9-5-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol?
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol has a molecular weight of 158.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol is sourced from PubChem (CID 104556943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).