3-[(4-aminocyclohexyl)-methylamino]butanoic acid

C11H22N2O2 — CID 79121835

IUPAC3-[(4-aminocyclohexyl)-methylamino]butanoic acid
SMILESCC(CC(=O)O)N(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(7-11(14)15)13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyCGOYWEHZIXHVFH-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.05
Rot. Bonds4

About 3-[(4-aminocyclohexyl)-methylamino]butanoic acid

3-[(4-aminocyclohexyl)-methylamino]butanoic acid (PubChem CID 79121835) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)-methylamino]butanoic acid
PubChem CID79121835
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-[(4-aminocyclohexyl)-methylamino]butanoic acid
SMILESCC(CC(=O)O)N(C)C1CCC(N)CC1
InChIInChI=1S/C11H22N2O2/c1-8(7-11(14)15)13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyCGOYWEHZIXHVFH-UHFFFAOYSA-N
XLogP1.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-[(4-aminocyclohexyl)-methylamino]-N,N-diethylpropanamide
CID 79121180
3-[(4-aminocyclohexyl)-methylamino]-2-methylpropanoic acid
CID 79121669
3-[methyl(thian-3-yl)amino]butanoic acid
CID 110838575
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
4-[cyclopentyl(methyl)amino]pentan-2-one
CID 64698717
4-[cycloheptyl(methyl)amino]pentan-2-one
CID 64696664
1-(4-aminocyclohexyl)-1-ethyl-3-propan-2-ylurea
CID 79116126
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
2-(4-aminopiperidin-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814367
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]butanoic acid?
The IUPAC name of 3-[(4-aminocyclohexyl)-methylamino]butanoic acid (CID 79121835) is 3-[(4-aminocyclohexyl)-methylamino]butanoic acid.
What is the SMILES notation for 3-[(4-aminocyclohexyl)-methylamino]butanoic acid?
The canonical SMILES for 3-[(4-aminocyclohexyl)-methylamino]butanoic acid is CC(CC(=O)O)N(C)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)-methylamino]butanoic acid?
The InChIKey is CGOYWEHZIXHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(7-11(14)15)13(2)10-5-3-9(12)4-6-10/h8-10H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 3-[(4-aminocyclohexyl)-methylamino]butanoic acid?
3-[(4-aminocyclohexyl)-methylamino]butanoic acid has a molecular weight of 214.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)-methylamino]butanoic acid is sourced from PubChem (CID 79121835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).