2-(1,2-diaminocyclohexyl)hexanedioic acid

C12H22N2O4 — CID 141005769

IUPAC2-(1,2-diaminocyclohexyl)hexanedioic acid
SMILESNC1CCCCC1(N)C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O4/c13-9-5-1-2-7-12(9,14)8(11(17)18)4-3-6-10(15)16/h8-9H,1-7,13-14H2,(H,15,16)(H,17,18)
InChIKeyUSDPNYJOOICXKX-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.54
Rot. Bonds6

About 2-(1,2-diaminocyclohexyl)hexanedioic acid

2-(1,2-diaminocyclohexyl)hexanedioic acid (PubChem CID 141005769) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1,2-diaminocyclohexyl)hexanedioic acid.

Molecular Properties

Compound Name2-(1,2-diaminocyclohexyl)hexanedioic acid
PubChem CID141005769
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-(1,2-diaminocyclohexyl)hexanedioic acid
SMILESNC1CCCCC1(N)C(CCCC(=O)O)C(=O)O
InChIInChI=1S/C12H22N2O4/c13-9-5-1-2-7-12(9,14)8(11(17)18)4-3-6-10(15)16/h8-9H,1-7,13-14H2,(H,15,16)(H,17,18)
InChIKeyUSDPNYJOOICXKX-UHFFFAOYSA-N
XLogP0.54
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-diaminocyclohexyl)butanedioic acid;platinum
CID 174369189
2-[[2-[bis(carboxymethyl)amino]-2-[(1S,2R)-1,2-diaminocyclohexyl]ethyl]-(carboxymethyl)amino]acetic acid
CID 66688883
2-methylcyclohexane-1,1-diamine;pentanedioic acid
CID 175047098
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
15-(2,2-dichlorocyclohexyl)pentadecanoic acid
CID 54179254
5-cyclopentylhexanoic acid
CID 69016722
2-cyclohexylsulfanylhexanedioic acid
CID 155253397
2-[2-(1,2-diaminocyclohexyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid
CID 77334019
6-cyclopentyl-5-methylhexanoic acid
CID 70074229
dicyclohexylmethanediamine;hexanedioic acid
CID 70400828
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
4-[(1S,5S,6R,11S,16S,18S)-1-amino-18-hydroxy-6,11-dimethyl-5-tetracyclo[8.8.0.02,6.011,16]octadecanyl]butanoic acid
CID 155085110

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diaminocyclohexyl)hexanedioic acid?
The IUPAC name of 2-(1,2-diaminocyclohexyl)hexanedioic acid (CID 141005769) is 2-(1,2-diaminocyclohexyl)hexanedioic acid.
What is the SMILES notation for 2-(1,2-diaminocyclohexyl)hexanedioic acid?
The canonical SMILES for 2-(1,2-diaminocyclohexyl)hexanedioic acid is NC1CCCCC1(N)C(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-(1,2-diaminocyclohexyl)hexanedioic acid?
The InChIKey is USDPNYJOOICXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c13-9-5-1-2-7-12(9,14)8(11(17)18)4-3-6-10(15)16/h8-9H,1-7,13-14H2,(H,15,16)(H,17,18).
What are the key properties of 2-(1,2-diaminocyclohexyl)hexanedioic acid?
2-(1,2-diaminocyclohexyl)hexanedioic acid has a molecular weight of 258.32 g/mol, XLogP of 0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diaminocyclohexyl)hexanedioic acid is sourced from PubChem (CID 141005769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).