4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide

C14H28N4O — CID 79940703

IUPAC4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
SMILESCC1CN2CCCC2CN1C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H28N4O/c1-11-9-17-6-4-5-12(17)10-18(11)13(8-15)7-14(19)16(2)3/h11-13H,4-10,15H2,1-3H3
InChIKeyLZUBIUFUHXSSNI-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.04
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide

4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide (PubChem CID 79940703) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
PubChem CID79940703
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide
SMILESCC1CN2CCCC2CN1C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H28N4O/c1-11-9-17-6-4-5-12(17)10-18(11)13(8-15)7-14(19)16(2)3/h11-13H,4-10,15H2,1-3H3
InChIKeyLZUBIUFUHXSSNI-UHFFFAOYSA-N
XLogP-0.04
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide 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

3-amino-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-ol
CID 104711092
4-amino-N,N-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 66432074
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
CID 66430640
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
CID 78959403
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanoic acid
CID 83042038
4-amino-N,N-dimethyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)butanamide
CID 66432282
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
CID 115559262
2-(dicyclopropylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939998
3-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79925054
4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66431049
4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
tert-butyl N-[4-amino-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-2-yl]carbamate
CID 102730326

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide (CID 79940703) is 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide is CC1CN2CCCC2CN1C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide?
The InChIKey is LZUBIUFUHXSSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11-9-17-6-4-5-12(17)10-18(11)13(8-15)7-14(19)16(2)3/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide?
4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide has a molecular weight of 268.40 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butanamide is sourced from PubChem (CID 79940703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).