5-(3-methylbutylamino)pentyl butanoate

C14H29NO2 — CID 82531935

IUPAC5-(3-methylbutylamino)pentyl butanoate
SMILESCCCC(=O)OCCCCCNCCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-8-14(16)17-12-7-5-6-10-15-11-9-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyFHGMRQUQYRWDCD-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.14
Rot. Bonds11

About 5-(3-methylbutylamino)pentyl butanoate

5-(3-methylbutylamino)pentyl butanoate (PubChem CID 82531935) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 5-(3-methylbutylamino)pentyl butanoate.

Molecular Properties

Compound Name5-(3-methylbutylamino)pentyl butanoate
PubChem CID82531935
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name5-(3-methylbutylamino)pentyl butanoate
SMILESCCCC(=O)OCCCCCNCCC(C)C
InChIInChI=1S/C14H29NO2/c1-4-8-14(16)17-12-7-5-6-10-15-11-9-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeyFHGMRQUQYRWDCD-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[3-(4-methylpentylamino)propanoyloxy]nonyl 3-(hexylamino)propanoate
CID 91449159
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
8-[8-(4-pentylnonanoyloxy)octylamino]octyl 4-pentylnonanoate
CID 168892165
1-O-decyl 4-O-(4-methylpentyl) butanedioate
CID 91702254
1-O-hexadecyl 4-O-(3-methylbutyl) butanedioate
CID 91695964
14-methylpentadecyl pentanoate
CID 157275601
17-methyloctadecyl pentanoate
CID 162024314
16-methylheptadecyl pentanoate
CID 54533139
1-O-heptadecyl 4-O-(3-methylbutyl) butanedioate
CID 91695965
5-(3-methylbutylamino)pentyl cyclopropanecarboxylate
CID 82531930
heptadecan-9-yl 8-[(6-nonoxy-6-oxohexyl)amino]octanoate
CID 146475325

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutylamino)pentyl butanoate?
The IUPAC name of 5-(3-methylbutylamino)pentyl butanoate (CID 82531935) is 5-(3-methylbutylamino)pentyl butanoate.
What is the SMILES notation for 5-(3-methylbutylamino)pentyl butanoate?
The canonical SMILES for 5-(3-methylbutylamino)pentyl butanoate is CCCC(=O)OCCCCCNCCC(C)C.
What is the InChIKey of 5-(3-methylbutylamino)pentyl butanoate?
The InChIKey is FHGMRQUQYRWDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-8-14(16)17-12-7-5-6-10-15-11-9-13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of 5-(3-methylbutylamino)pentyl butanoate?
5-(3-methylbutylamino)pentyl butanoate has a molecular weight of 243.39 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutylamino)pentyl butanoate is sourced from PubChem (CID 82531935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).