ethyl 2-(6-methylheptan-2-ylamino)pentanoate

C15H31NO2 — CID 83041097

IUPACethyl 2-(6-methylheptan-2-ylamino)pentanoate
SMILESCCCC(NC(C)CCCC(C)C)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-6-9-14(15(17)18-7-2)16-13(5)11-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyBQMJQBRDSKUMOQ-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.52
Rot. Bonds10

About ethyl 2-(6-methylheptan-2-ylamino)pentanoate

ethyl 2-(6-methylheptan-2-ylamino)pentanoate (PubChem CID 83041097) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is ethyl 2-(6-methylheptan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(6-methylheptan-2-ylamino)pentanoate
PubChem CID83041097
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameethyl 2-(6-methylheptan-2-ylamino)pentanoate
SMILESCCCC(NC(C)CCCC(C)C)C(=O)OCC
InChIInChI=1S/C15H31NO2/c1-6-9-14(15(17)18-7-2)16-13(5)11-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3
InChIKeyBQMJQBRDSKUMOQ-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(heptan-2-ylamino)butanoate
CID 64668767
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl (2S)-2-[[(2S)-3-oxobutan-2-yl]amino]pentanoate
CID 59838569
ethyl 2-[(1-chloro-1-oxopropan-2-yl)amino]pentanoate
CID 58903047
ethyl 2-[(1-hydroxy-4-methylpentan-2-yl)amino]pentanoate
CID 83041514
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-[4-(furan-2-yl)butan-2-ylamino]pentanoate
CID 83042042
N-(6-methylheptan-2-yl)butanamide
CID 60644759
ethyl 2-(phosphanylamino)pentanoate
CID 59113606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methylheptan-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-(6-methylheptan-2-ylamino)pentanoate (CID 83041097) is ethyl 2-(6-methylheptan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-(6-methylheptan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-(6-methylheptan-2-ylamino)pentanoate is CCCC(NC(C)CCCC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(6-methylheptan-2-ylamino)pentanoate?
The InChIKey is BQMJQBRDSKUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-9-14(15(17)18-7-2)16-13(5)11-8-10-12(3)4/h12-14,16H,6-11H2,1-5H3.
What are the key properties of ethyl 2-(6-methylheptan-2-ylamino)pentanoate?
ethyl 2-(6-methylheptan-2-ylamino)pentanoate has a molecular weight of 257.42 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methylheptan-2-ylamino)pentanoate is sourced from PubChem (CID 83041097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).