N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide

C13H27N3O — CID 115272506

IUPACN-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCC(CN)CN(C)C(=O)CCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(8-14)9-16(3)13(17)5-4-12-6-7-15(2)10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyYLPVTRYQIOSALL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.77
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide

N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide (PubChem CID 115272506) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
PubChem CID115272506
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
SMILESCC(CN)CN(C)C(=O)CCC1CCN(C)C1
InChIInChI=1S/C13H27N3O/c1-11(8-14)9-16(3)13(17)5-4-12-6-7-15(2)10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyYLPVTRYQIOSALL-UHFFFAOYSA-N
XLogP0.77
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
4-amino-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 81079366
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
N-(3-amino-2-methylpropyl)-4-(1-methylpyrrolidin-3-yl)butanamide
CID 115271802
N-(3-amino-2-methylpropyl)-2-cycloheptyl-N-methylacetamide
CID 114456979
N-methyl-3-(1-methylpiperidin-3-yl)propanehydrazide
CID 116845050
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
CID 116845186
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
N-(3-amino-2-methylpropyl)-N-methyl-2-(oxan-4-yl)acetamide
CID 115272471
5-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]hexanamide
CID 82851487
(2R)-2-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 78928409
2-methyl-3-[methyl-[2-(1-methylpyrrolidin-3-yl)ethyl]amino]propanoic acid
CID 115219639

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide (CID 115272506) is N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide is CC(CN)CN(C)C(=O)CCC1CCN(C)C1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
The InChIKey is YLPVTRYQIOSALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(8-14)9-16(3)13(17)5-4-12-6-7-15(2)10-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide?
N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 115272506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).