1,5-diaminopentan-3-yl 2-methylbutanoate

C10H22N2O2 — CID 88947766

IUPAC1,5-diaminopentan-3-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(CCN)CCN
InChIInChI=1S/C10H22N2O2/c1-3-8(2)10(13)14-9(4-6-11)5-7-12/h8-9H,3-7,11-12H2,1-2H3
InChIKeyDPXVFACZRLDBND-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.64
Rot. Bonds7

About 1,5-diaminopentan-3-yl 2-methylbutanoate

1,5-diaminopentan-3-yl 2-methylbutanoate (PubChem CID 88947766) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1,5-diaminopentan-3-yl 2-methylbutanoate.

Molecular Properties

Compound Name1,5-diaminopentan-3-yl 2-methylbutanoate
PubChem CID88947766
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1,5-diaminopentan-3-yl 2-methylbutanoate
SMILESCCC(C)C(=O)OC(CCN)CCN
InChIInChI=1S/C10H22N2O2/c1-3-8(2)10(13)14-9(4-6-11)5-7-12/h8-9H,3-7,11-12H2,1-2H3
InChIKeyDPXVFACZRLDBND-UHFFFAOYSA-N
XLogP0.64
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
CID 98854584
2-(2-methylbutanoyloxy)propane-1,3-disulfonic acid
CID 89351312
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
3-methylhexan-2-yl 2-methylbutanoate
CID 129131551
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
1-(4-fluorophenyl)ethyl 2-methylbutanoate
CID 174934035
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
acetamidomethyl 2-methylbutanoate
CID 134215885
[methylsulfanyl(sulfanyl)methyl] 2-methylbutanoate
CID 87459895
3-(2-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate
CID 6426901

Frequently Asked Questions

What is the IUPAC name of 1,5-diaminopentan-3-yl 2-methylbutanoate?
The IUPAC name of 1,5-diaminopentan-3-yl 2-methylbutanoate (CID 88947766) is 1,5-diaminopentan-3-yl 2-methylbutanoate.
What is the SMILES notation for 1,5-diaminopentan-3-yl 2-methylbutanoate?
The canonical SMILES for 1,5-diaminopentan-3-yl 2-methylbutanoate is CCC(C)C(=O)OC(CCN)CCN.
What is the InChIKey of 1,5-diaminopentan-3-yl 2-methylbutanoate?
The InChIKey is DPXVFACZRLDBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-8(2)10(13)14-9(4-6-11)5-7-12/h8-9H,3-7,11-12H2,1-2H3.
What are the key properties of 1,5-diaminopentan-3-yl 2-methylbutanoate?
1,5-diaminopentan-3-yl 2-methylbutanoate has a molecular weight of 202.30 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diaminopentan-3-yl 2-methylbutanoate is sourced from PubChem (CID 88947766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).