4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide

C10H17N3O — CID 146841645

IUPAC4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C10H17N3O/c11-5-1-2-10(14)13-7-4-9-3-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14)
InChIKeySGGKEADOZCCFFE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.59
Rot. Bonds6

About 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide

4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide (PubChem CID 146841645) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
PubChem CID146841645
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
SMILESNCCCC(=O)NCCC1=CN=CC1
InChIInChI=1S/C10H17N3O/c11-5-1-2-10(14)13-7-4-9-3-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14)
InChIKeySGGKEADOZCCFFE-UHFFFAOYSA-N
XLogP0.59
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-(3H-pyrrol-4-ylmethyl)butanamide
CID 58710755
N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]acetamide
CID 90940234
4-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]butanamide
CID 123553028
3-amino-N-[2-(3,4-dihydropyridin-5-yl)ethyl]propanamide
CID 123749557
4-amino-N-[2-(4,5-dihydro-3H-azepin-6-yl)ethyl]butanamide
CID 124017053
4-amino-N-[(E)-4-(ethylideneamino)-3-methylbut-3-enyl]butanamide
CID 144920807
N-[2-methyl-3-(3-methylbut-3-enylimino)propyl]propanamide
CID 146416578
N'-[2-(3H-pyrrol-4-yl)ethyl]pentanediamide
CID 146699889
3-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 147315077
5-amino-N-[2-(3H-pyrrol-4-yl)ethyl]pentanamide
CID 147982421
4-(diaminomethylideneamino)-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 148211035

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide (CID 146841645) is 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide is NCCCC(=O)NCCC1=CN=CC1.
What is the InChIKey of 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
The InChIKey is SGGKEADOZCCFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-5-1-2-10(14)13-7-4-9-3-6-12-8-9/h6,8H,1-5,7,11H2,(H,13,14).
What are the key properties of 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide?
4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide has a molecular weight of 195.27 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3H-pyrrol-4-yl)ethyl]butanamide is sourced from PubChem (CID 146841645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).