4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide

C13H27N3O2 — CID 66432481

IUPAC4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
SMILESCCN(CC1CCCO1)C(CN)CC(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-4-16(10-12-6-5-7-18-12)11(9-14)8-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyAZVRGKWFUCESIR-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds7

About 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide

4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide (PubChem CID 66432481) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
PubChem CID66432481
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
SMILESCCN(CC1CCCO1)C(CN)CC(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-4-16(10-12-6-5-7-18-12)11(9-14)8-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyAZVRGKWFUCESIR-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
CID 66427136
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64710254
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62428927
2-N-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
CID 61431468
4-amino-3-[cyclopropylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66430431
4-amino-3-[cyclohexylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66429827
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
CID 66432458
3-[ethyl(oxolan-2-ylmethyl)amino]prop-2-enoic acid
CID 79896768
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide (CID 66432481) is 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide is CCN(CC1CCCO1)C(CN)CC(=O)N(C)C.
What is the InChIKey of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide?
The InChIKey is AZVRGKWFUCESIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16(10-12-6-5-7-18-12)11(9-14)8-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66432481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).