3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide

C13H23N3O — CID 106384758

IUPAC3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,3)7-11(14)6-12(17)16-9-10-4-5-15-8-10/h4-5,8,11,15H,6-7,9,14H2,1-3H3,(H,16,17)
InChIKeyMMVOOYAPRJBILB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide

3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide (PubChem CID 106384758) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide.

Molecular Properties

Compound Name3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
PubChem CID106384758
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
SMILESCC(C)(C)CC(N)CC(=O)NCc1cc[nH]c1
InChIInChI=1S/C13H23N3O/c1-13(2,3)7-11(14)6-12(17)16-9-10-4-5-15-8-10/h4-5,8,11,15H,6-7,9,14H2,1-3H3,(H,16,17)
InChIKeyMMVOOYAPRJBILB-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384830
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 83530042
2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
CID 110775133
(2S)-2-amino-4-methyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384795
N-(1H-pyrrol-3-ylmethyl)but-3-ynamide
CID 106385791
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide?
The IUPAC name of 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide (CID 106384758) is 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide.
What is the SMILES notation for 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide?
The canonical SMILES for 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide is CC(C)(C)CC(N)CC(=O)NCc1cc[nH]c1.
What is the InChIKey of 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide?
The InChIKey is MMVOOYAPRJBILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)7-11(14)6-12(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 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide?
3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide has a molecular weight of 237.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide is sourced from PubChem (CID 106384758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).