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

C12H25N3O2 — CID 66427136

IUPAC4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
SMILESCCN(CC1CCCO1)C(CN)CC(=O)NC
InChIInChI=1S/C12H25N3O2/c1-3-15(9-11-5-4-6-17-11)10(8-13)7-12(16)14-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyDPCMGMSDKJWXRK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds7

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

4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide (PubChem CID 66427136) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
PubChem CID66427136
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide
SMILESCCN(CC1CCCO1)C(CN)CC(=O)NC
InChIInChI=1S/C12H25N3O2/c1-3-15(9-11-5-4-6-17-11)10(8-13)7-12(16)14-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyDPCMGMSDKJWXRK-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 66432481
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
CID 66427576
ethyl 4-[ethyl(oxolan-2-ylmethyl)amino]-2-methyl-2-(methylamino)pentanoate
CID 64710254
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-ethylbutanamide
CID 107397676
4-amino-N-tert-butyl-3-[methyl(oxan-2-ylmethyl)amino]butanamide
CID 66432458
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
1-N,2-N-diethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62428927
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
4-amino-N-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]butanamide
CID 66432647
4-N-ethyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-2,4-diamine
CID 64709069
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide?
The IUPAC name of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide (CID 66427136) is 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide is CCN(CC1CCCO1)C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide?
The InChIKey is DPCMGMSDKJWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-15(9-11-5-4-6-17-11)10(8-13)7-12(16)14-2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide?
4-amino-3-[ethyl(oxolan-2-ylmethyl)amino]-N-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 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-methylbutanamide is sourced from PubChem (CID 66427136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).