ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate

C14H30N2O2 — CID 63029192

IUPACethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCN(C)C(C)CC)NC(C)C
InChIInChI=1S/C14H30N2O2/c1-7-12(5)16(6)10-9-13(15-11(3)4)14(17)18-8-2/h11-13,15H,7-10H2,1-6H3
InChIKeyNFIVYZCZBBOCOH-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.04
Rot. Bonds9

About ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate

ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate (PubChem CID 63029192) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
PubChem CID63029192
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nameethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCN(C)C(C)CC)NC(C)C
InChIInChI=1S/C14H30N2O2/c1-7-12(5)16(6)10-9-13(15-11(3)4)14(17)18-8-2/h11-13,15H,7-10H2,1-6H3
InChIKeyNFIVYZCZBBOCOH-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[bis(2-methylpropyl)amino]-2-(propan-2-ylamino)butanoate
CID 63055477
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
ethyl 4-[methyl(propan-2-yl)amino]-2-(propylamino)butanoate
CID 63029941
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanamide
CID 63055362
ethyl 4-butoxy-2-(propan-2-ylamino)butanoate
CID 55143775
4-[methyl(4-methylpentan-2-yl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63055545
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
ethyl 2-(cyclopropylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63028837
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(propan-2-ylamino)pentanoate
CID 140629551
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
ethyl 3-[cyclopropyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propanoate
CID 78977501

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate (CID 63029192) is ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate is CCOC(=O)C(CCN(C)C(C)CC)NC(C)C.
What is the InChIKey of ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate?
The InChIKey is NFIVYZCZBBOCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-7-12(5)16(6)10-9-13(15-11(3)4)14(17)18-8-2/h11-13,15H,7-10H2,1-6H3.
What are the key properties of ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate?
ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate has a molecular weight of 258.41 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[butan-2-yl(methyl)amino]-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63029192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).