4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide

C12H21N3O — CID 115156814

IUPAC4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
SMILESCC(N)CCC(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-10(13)5-6-12(16)15(2)9-7-11-4-3-8-14-11/h3-4,8,10,14H,5-7,9,13H2,1-2H3
InChIKeyHVOPGPWIVJUZKB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds6

About 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide

4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide (PubChem CID 115156814) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
PubChem CID115156814
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
SMILESCC(N)CCC(=O)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H21N3O/c1-10(13)5-6-12(16)15(2)9-7-11-4-3-8-14-11/h3-4,8,10,14H,5-7,9,13H2,1-2H3
InChIKeyHVOPGPWIVJUZKB-UHFFFAOYSA-N
XLogP1.14
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 79494506
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753
4-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylpentanamide;hydrochloride
CID 120560875
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide?
The IUPAC name of 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide (CID 115156814) is 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide?
The canonical SMILES for 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide is CC(N)CCC(=O)N(C)CCc1ccc[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide?
The InChIKey is HVOPGPWIVJUZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(13)5-6-12(16)15(2)9-7-11-4-3-8-14-11/h3-4,8,10,14H,5-7,9,13H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide?
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 115156814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).