4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol

C14H31N3O — CID 64897970

IUPAC4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3O/c1-3-7-15-14(6-12-18)13-16(2)10-11-17-8-4-5-9-17/h14-15,18H,3-13H2,1-2H3
InChIKeyPMWYUXYMOVEVKK-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds10

About 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol

4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol (PubChem CID 64897970) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
PubChem CID64897970
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3O/c1-3-7-15-14(6-12-18)13-16(2)10-11-17-8-4-5-9-17/h14-15,18H,3-13H2,1-2H3
InChIKeyPMWYUXYMOVEVKK-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
CID 64788204
1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
CID 55161282
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 63207611
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol (CID 64897970) is 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)CCN1CCCC1.
What is the InChIKey of 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol?
The InChIKey is PMWYUXYMOVEVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-3-7-15-14(6-12-18)13-16(2)10-11-17-8-4-5-9-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol?
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64897970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).