3-(2-aminoethylamino)cyclohexane-1-carboxylic acid

C9H18N2O2 — CID 63652681

IUPAC3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
SMILESNCCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyJGANQLJGHGMSLZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.18
Rot. Bonds4

About 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid

3-(2-aminoethylamino)cyclohexane-1-carboxylic acid (PubChem CID 63652681) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
PubChem CID63652681
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(2-aminoethylamino)cyclohexane-1-carboxylic acid
SMILESNCCNC1CCCC(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6,10H2,(H,12,13)
InChIKeyJGANQLJGHGMSLZ-UHFFFAOYSA-N
XLogP0.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(methylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63042782
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
3-[(3-amino-2-methyl-3-oxopropyl)amino]cyclohexane-1-carboxylic acid
CID 63042445
3-(6-methylsulfanylhexylamino)cyclohexane-1-carboxylic acid
CID 114125026
3-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]cyclohexane-1-carboxylic acid
CID 63044076
3-(2-pyridin-2-ylethylamino)cyclohexane-1-carboxylic acid
CID 63043512
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
3-[(5-cyano-5-methylhexyl)amino]cyclohexane-1-carboxylic acid
CID 106713203
(3S)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 172529377
trans-(1R,3R)-3-(aminomethyl)cyclohexane-1-carboxylic acid
CID 18632959
3-[[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 63042085

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid (CID 63652681) is 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid is NCCNC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid?
The InChIKey is JGANQLJGHGMSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-4-5-11-8-3-1-2-7(6-8)9(12)13/h7-8,11H,1-6,10H2,(H,12,13).
What are the key properties of 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid?
3-(2-aminoethylamino)cyclohexane-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63652681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).