4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide

C14H30N4O — CID 79314706

IUPAC4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
SMILESCCN1CCCC1CN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H30N4O/c1-5-18-8-6-7-12(18)11-17(4)13(10-15)9-14(19)16(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyRRJBMGRRWQSNEO-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.21
Rot. Bonds7

About 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide

4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide (PubChem CID 79314706) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
PubChem CID79314706
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide
SMILESCCN1CCCC1CN(C)C(CN)CC(=O)N(C)C
InChIInChI=1S/C14H30N4O/c1-5-18-8-6-7-12(18)11-17(4)13(10-15)9-14(19)16(2)3/h12-13H,5-11,15H2,1-4H3
InChIKeyRRJBMGRRWQSNEO-UHFFFAOYSA-N
XLogP0.21
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylnonane-1,2-diamine
CID 79313625
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1-cyclopentyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethane-1,2-diamine
CID 79303331
ethyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-hydroxybutanoate
CID 82770373
ethyl 2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentanoate
CID 79309508
4-amino-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylbutanamide
CID 66430640
4-amino-N-methyl-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanamide
CID 79303980
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 79303847
1-N-cyclopropyl-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylbutane-1,2-diamine
CID 79312570
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide (CID 79314706) is 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide is CCN1CCCC1CN(C)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide?
The InChIKey is RRJBMGRRWQSNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-5-18-8-6-7-12(18)11-17(4)13(10-15)9-14(19)16(2)3/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide?
4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide has a molecular weight of 270.42 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 79314706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).