2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide

C13H23N3O — CID 114181967

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,3)6-11(7-14)12(17)16-9-10-4-5-15-8-10/h4-5,8,11,15H,6-7,9,14H2,1-3H3,(H,16,17)
InChIKeySPVYXJZWMVZABZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds5

About 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide (PubChem CID 114181967) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
PubChem CID114181967
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,3)6-11(7-14)12(17)16-9-10-4-5-15-8-10/h4-5,8,11,15H,6-7,9,14H2,1-3H3,(H,16,17)
InChIKeySPVYXJZWMVZABZ-UHFFFAOYSA-N
XLogP1.64
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-(aminomethyl)-N-[(4-ethylphenyl)methyl]-4,4-dimethylpentanamide
CID 107472909
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
2-(methylaminomethyl)-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 115188874
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
2-(aminomethyl)-4,4-dimethyl-N-[(4-nitrophenyl)methyl]pentanamide
CID 107471435
3-[[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]methyl]benzoic acid
CID 107471779
1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
CID 110775133
2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
CID 106384829

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide (CID 114181967) is 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide is CC(C)(C)CC(CN)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
The InChIKey is SPVYXJZWMVZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)6-11(7-14)12(17)16-9-10-4-5-15-8-10/h4-5,8,11,15H,6-7,9,14H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide has a molecular weight of 237.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide is sourced from PubChem (CID 114181967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).