N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide

C14H25N3O — CID 66406621

IUPACN-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
SMILESCNC(=O)CCCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C14H25N3O/c1-12(2)9-16-10-13-6-8-17(11-13)7-4-5-14(18)15-3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3,(H,15,18)
InChIKeyWQMSURFSULCCJL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds8

About N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide

N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide (PubChem CID 66406621) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
PubChem CID66406621
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
SMILESCNC(=O)CCCn1ccc(CNCC(C)C)c1
InChIInChI=1S/C14H25N3O/c1-12(2)9-16-10-13-6-8-17(11-13)7-4-5-14(18)15-3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3,(H,15,18)
InChIKeyWQMSURFSULCCJL-UHFFFAOYSA-N
XLogP1.76
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanoate
CID 66405802
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66405210
2,2-dimethyl-6-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]hexanenitrile
CID 106713558
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
2,2-dimethyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanoic acid
CID 79620778
N-methyl-4-(3-propanoylpyrrol-1-yl)butanamide
CID 79098745
4-[3-(1-hydroxypropyl)pyrrol-1-yl]-N-methylbutanamide
CID 79104597
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
N-[[1-(methoxymethyl)pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 66404189
N-methyl-4-[3-[1-(methylamino)propyl]pyrrol-1-yl]butanamide
CID 79105677
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide?
The IUPAC name of N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide (CID 66406621) is N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide.
What is the SMILES notation for N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide?
The canonical SMILES for N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide is CNC(=O)CCCn1ccc(CNCC(C)C)c1.
What is the InChIKey of N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide?
The InChIKey is WQMSURFSULCCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)9-16-10-13-6-8-17(11-13)7-4-5-14(18)15-3/h6,8,11-12,16H,4-5,7,9-10H2,1-3H3,(H,15,18).
What are the key properties of N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide?
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide has a molecular weight of 251.37 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide is sourced from PubChem (CID 66406621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).