N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide

C14H29N3O — CID 60854910

IUPACN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCC1CCN(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)5-7-15-14(18)12(3)16-9-13-6-8-17(4)10-13/h11-13,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyJNUPWEFNVDIHMZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds7

About N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide

N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide (PubChem CID 60854910) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
PubChem CID60854910
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
SMILESCC(C)CCNC(=O)C(C)NCC1CCN(C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)5-7-15-14(18)12(3)16-9-13-6-8-17(4)10-13/h11-13,16H,5-10H2,1-4H3,(H,15,18)
InChIKeyJNUPWEFNVDIHMZ-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 60855261
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373502
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 54927684
(2S)-2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 61146973
2-(azetidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 116675896
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide
CID 83021998
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54927399
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-N-propylpropanamide
CID 63897621
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 54927639

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide (CID 60854910) is N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide is CC(C)CCNC(=O)C(C)NCC1CCN(C)C1.
What is the InChIKey of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide?
The InChIKey is JNUPWEFNVDIHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)5-7-15-14(18)12(3)16-9-13-6-8-17(4)10-13/h11-13,16H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide?
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide is sourced from PubChem (CID 60854910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).