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

C16H34N4O — CID 63210817

IUPAC2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN(C)CCN1CCCC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-4-9-18-16(2,15(17)21)8-7-10-19(3)13-14-20-11-5-6-12-20/h18H,4-14H2,1-3H3,(H2,17,21)
InChIKeySYJYZBAZDZPDOE-UHFFFAOYSA-N
MW298.48 g/mol
LogP1.04
Rot. Bonds11

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

2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide (PubChem CID 63210817) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
PubChem CID63210817
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN(C)CCN1CCCC1)C(N)=O
InChIInChI=1S/C16H34N4O/c1-4-9-18-16(2,15(17)21)8-7-10-19(3)13-14-20-11-5-6-12-20/h18H,4-14H2,1-3H3,(H2,17,21)
InChIKeySYJYZBAZDZPDOE-UHFFFAOYSA-N
XLogP1.04
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanamide
CID 63210861
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791065
2-methyl-6-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)hexan-1-ol
CID 64791476
6-[3-methoxypropyl(methyl)amino]-2-methyl-2-(propylamino)hexanamide
CID 63008631
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 62890058
2-methyl-4-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)butanamide
CID 62778180
5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanehydrazide
CID 63573579
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propylamino)butanamide
CID 63274172
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide (CID 63210817) is 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide is CCCNC(C)(CCCN(C)CCN1CCCC1)C(N)=O.
What is the InChIKey of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide?
The InChIKey is SYJYZBAZDZPDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-4-9-18-16(2,15(17)21)8-7-10-19(3)13-14-20-11-5-6-12-20/h18H,4-14H2,1-3H3,(H2,17,21).
What are the key properties of 2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide?
2-methyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propylamino)pentanamide has a molecular weight of 298.48 g/mol, XLogP of 1.04, 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)pentanamide is sourced from PubChem (CID 63210817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).