(2S)-6-amino-2-(dipentylamino)hexanoic acid

C16H34N2O2 — CID 57295047

IUPAC(2S)-6-amino-2-(dipentylamino)hexanoic acid
SMILESCCCCCN(CCCCC)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H34N2O2/c1-3-5-9-13-18(14-10-6-4-2)15(16(19)20)11-7-8-12-17/h15H,3-14,17H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyOOWCBWGJZLBAGK-HNNXBMFYSA-N
MW286.46 g/mol
LogP3.25
Rot. Bonds14

About (2S)-6-amino-2-(dipentylamino)hexanoic acid

(2S)-6-amino-2-(dipentylamino)hexanoic acid (PubChem CID 57295047) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (2S)-6-amino-2-(dipentylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(dipentylamino)hexanoic acid
PubChem CID57295047
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name(2S)-6-amino-2-(dipentylamino)hexanoic acid
SMILESCCCCCN(CCCCC)[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C16H34N2O2/c1-3-5-9-13-18(14-10-6-4-2)15(16(19)20)11-7-8-12-17/h15H,3-14,17H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyOOWCBWGJZLBAGK-HNNXBMFYSA-N
XLogP3.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 158112465
CID 158112465
(2S)-2-aminopropanoic acid;2-[bis(2-aminoethyl)amino]tetradecanoic acid
CID 87338408
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
5-amino-2-[amino(pentyl)amino]pentanoic acid
CID 88759033
2-(diethylamino)heptanoic acid
CID 43803668
2-[bis[(Z)-octadec-9-enyl]amino]pentanedioic acid;2,6-diaminohexanoic acid
CID 175542588
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(dipentylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(dipentylamino)hexanoic acid (CID 57295047) is (2S)-6-amino-2-(dipentylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(dipentylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(dipentylamino)hexanoic acid is CCCCCN(CCCCC)[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(dipentylamino)hexanoic acid?
The InChIKey is OOWCBWGJZLBAGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-3-5-9-13-18(14-10-6-4-2)15(16(19)20)11-7-8-12-17/h15H,3-14,17H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-6-amino-2-(dipentylamino)hexanoic acid?
(2S)-6-amino-2-(dipentylamino)hexanoic acid has a molecular weight of 286.46 g/mol, XLogP of 3.25, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(dipentylamino)hexanoic acid is sourced from PubChem (CID 57295047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).