2-methylpentyl 6-amino-4,4-dimethylhexanoate

C14H29NO2 — CID 103284096

IUPAC2-methylpentyl 6-amino-4,4-dimethylhexanoate
SMILESCCCC(C)COC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO2/c1-5-6-12(2)11-17-13(16)7-8-14(3,4)9-10-15/h12H,5-11,15H2,1-4H3
InChIKeyMLITUFMIAQYDJK-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.12
Rot. Bonds9

About 2-methylpentyl 6-amino-4,4-dimethylhexanoate

2-methylpentyl 6-amino-4,4-dimethylhexanoate (PubChem CID 103284096) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-methylpentyl 6-amino-4,4-dimethylhexanoate.

Molecular Properties

Compound Name2-methylpentyl 6-amino-4,4-dimethylhexanoate
PubChem CID103284096
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-methylpentyl 6-amino-4,4-dimethylhexanoate
SMILESCCCC(C)COC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H29NO2/c1-5-6-12(2)11-17-13(16)7-8-14(3,4)9-10-15/h12H,5-11,15H2,1-4H3
InChIKeyMLITUFMIAQYDJK-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-methylpentyl) heptanedioate
CID 91718408
pentyl 6-amino-4,4-dimethylhexanoate
CID 65285428
5-O-(2-methylpentyl) 1-O-propyl pentanedioate
CID 91708244
4-O-(3-methylbutan-2-yl) 1-O-(2-methylpentyl) butanedioate
CID 91701834
2-ethoxyethyl 6-amino-4,4-dimethylhexanoate
CID 65285025
2-methylpentyl carbonofluoridate
CID 175528242
bis(2-methylnonyl) butanedioate
CID 87342717
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
5-O-(3-methylbutan-2-yl) 1-O-(2-methylpentyl) pentanedioate
CID 91705377
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
2-methylundecyl undecanoate
CID 71429255

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 6-amino-4,4-dimethylhexanoate?
The IUPAC name of 2-methylpentyl 6-amino-4,4-dimethylhexanoate (CID 103284096) is 2-methylpentyl 6-amino-4,4-dimethylhexanoate.
What is the SMILES notation for 2-methylpentyl 6-amino-4,4-dimethylhexanoate?
The canonical SMILES for 2-methylpentyl 6-amino-4,4-dimethylhexanoate is CCCC(C)COC(=O)CCC(C)(C)CCN.
What is the InChIKey of 2-methylpentyl 6-amino-4,4-dimethylhexanoate?
The InChIKey is MLITUFMIAQYDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-6-12(2)11-17-13(16)7-8-14(3,4)9-10-15/h12H,5-11,15H2,1-4H3.
What are the key properties of 2-methylpentyl 6-amino-4,4-dimethylhexanoate?
2-methylpentyl 6-amino-4,4-dimethylhexanoate has a molecular weight of 243.39 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 6-amino-4,4-dimethylhexanoate is sourced from PubChem (CID 103284096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).