4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide

C16H29N3O — CID 106416885

IUPAC4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
SMILESCn1cccc1CNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-16(2,3)13(9-10-17)7-8-15(20)18-12-14-6-5-11-19(14)4/h5-6,11,13H,7-10,12,17H2,1-4H3,(H,18,20)
InChIKeyGBRHEBSTAOAXOY-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.43
Rot. Bonds7

About 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide

4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide (PubChem CID 106416885) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
PubChem CID106416885
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
SMILESCn1cccc1CNC(=O)CCC(CCN)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-16(2,3)13(9-10-17)7-8-15(20)18-12-14-6-5-11-19(14)4/h5-6,11,13H,7-10,12,17H2,1-4H3,(H,18,20)
InChIKeyGBRHEBSTAOAXOY-UHFFFAOYSA-N
XLogP2.43
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
4-(2-aminoethyl)-5,5-dimethyl-N-(pyridazin-3-ylmethyl)hexanamide
CID 106896004
N-[(1-methylpyrrol-2-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114186109
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
1-(aminomethyl)-N-[(1-methylpyrrol-2-yl)methyl]cyclopropane-1-carboxamide
CID 106416507
4-(2-aminoethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,5-dimethylhexanamide
CID 79231895
4-(2-aminoethyl)-5,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]hexanamide
CID 106396814
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The IUPAC name of 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide (CID 106416885) is 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The canonical SMILES for 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide is Cn1cccc1CNC(=O)CCC(CCN)C(C)(C)C.
What is the InChIKey of 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
The InChIKey is GBRHEBSTAOAXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-16(2,3)13(9-10-17)7-8-15(20)18-12-14-6-5-11-19(14)4/h5-6,11,13H,7-10,12,17H2,1-4H3,(H,18,20).
What are the key properties of 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide?
4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide has a molecular weight of 279.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]hexanamide is sourced from PubChem (CID 106416885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).