2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

C15H31N3O — CID 115486274

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C15H31N3O/c1-11(2)5-6-12(3)17-15(19)10-18-9-14(8-16)7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyKRWBDPUUHOEBBJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (PubChem CID 115486274) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
PubChem CID115486274
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C15H31N3O/c1-11(2)5-6-12(3)17-15(19)10-18-9-14(8-16)7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19)
InChIKeyKRWBDPUUHOEBBJ-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide 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

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 113320028
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 103352964
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
2-(2,5-dimethylpiperazin-1-yl)-N-(5-methylhexan-2-yl)acetamide
CID 64980257
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
CID 113320029
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 115486277
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
4-hydroxy-1-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 114351372
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 115486348

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide (CID 115486274) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)CN1CC(CN)CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is KRWBDPUUHOEBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-11(2)5-6-12(3)17-15(19)10-18-9-14(8-16)7-13(18)4/h11-14H,5-10,16H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 115486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).