2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol

C16H35N3O — CID 64791065

IUPAC2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3O/c1-4-9-17-16(2,15-20)8-7-10-18(3)13-14-19-11-5-6-12-19/h17,20H,4-15H2,1-3H3
InChIKeyYNDJIIGMVHBLBY-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.54
Rot. Bonds11

About 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol

2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol (PubChem CID 64791065) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
PubChem CID64791065
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN(C)CCN1CCCC1
InChIInChI=1S/C16H35N3O/c1-4-9-17-16(2,15-20)8-7-10-18(3)13-14-19-11-5-6-12-19/h17,20H,4-15H2,1-3H3
InChIKeyYNDJIIGMVHBLBY-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
CID 63210817
5-[cyclopentylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentan-1-ol
CID 64787636
2-methyl-2-(methylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64790274
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
2-methyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentan-1-ol
CID 64796336
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(propylamino)pentan-1-ol
CID 79312291
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
6-[2,2-dimethylpropyl(methyl)amino]-2-methyl-2-(propylamino)hexan-1-ol
CID 64825383
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol (CID 64791065) is 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN(C)CCN1CCCC1.
What is the InChIKey of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol?
The InChIKey is YNDJIIGMVHBLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-9-17-16(2,15-20)8-7-10-18(3)13-14-19-11-5-6-12-19/h17,20H,4-15H2,1-3H3.
What are the key properties of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol?
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol has a molecular weight of 285.48 g/mol, XLogP of 1.54, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64791065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).