N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide

C15H25N3O — CID 66405210

IUPACN-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)CNCc1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C15H25N3O/c1-12(2)9-16-10-13-5-7-18(11-13)8-6-15(19)17-14-3-4-14/h5,7,11-12,14,16H,3-4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyXKXFTWMEUPAFPR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.90
Rot. Bonds8

About N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide

N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide (PubChem CID 66405210) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
PubChem CID66405210
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
SMILESCC(C)CNCc1ccn(CCC(=O)NC2CC2)c1
InChIInChI=1S/C15H25N3O/c1-12(2)9-16-10-13-5-7-18(11-13)8-6-15(19)17-14-3-4-14/h5,7,11-12,14,16H,3-4,6,8-10H2,1-2H3,(H,17,19)
InChIKeyXKXFTWMEUPAFPR-UHFFFAOYSA-N
XLogP1.90
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
CID 66404307
N-methyl-4-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]butanamide
CID 66406621
3-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-propan-2-ylpropanamide
CID 66405366
N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
CID 79098648
N-cyclopropyl-2-[3-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66406741
2-[3-[(cyclopropylamino)methyl]pyrrol-1-yl]-N-(2-methylpropyl)acetamide
CID 66404151
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
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]propanamide
CID 66405145
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide (CID 66405210) is N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide is CC(C)CNCc1ccn(CCC(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
The InChIKey is XKXFTWMEUPAFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)9-16-10-13-5-7-18(11-13)8-6-15(19)17-14-3-4-14/h5,7,11-12,14,16H,3-4,6,8-10H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide?
N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide has a molecular weight of 263.38 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide is sourced from PubChem (CID 66405210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).