2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid

C16H30N2O2 — CID 65242910

IUPAC2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid
SMILESCN1CCCC(N(C)C2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-17-11-6-7-14(8-12-17)18(2)16(13-15(19)20)9-4-3-5-10-16/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyRFBDESRDRQVIAD-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.58
Rot. Bonds4

About 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid

2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid (PubChem CID 65242910) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid
PubChem CID65242910
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid
SMILESCN1CCCC(N(C)C2(CC(=O)O)CCCCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-17-11-6-7-14(8-12-17)18(2)16(13-15(19)20)9-4-3-5-10-16/h14H,3-13H2,1-2H3,(H,19,20)
InChIKeyRFBDESRDRQVIAD-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075
2-[1-[(4-ethylcycloheptyl)-methylamino]cyclohexyl]acetic acid
CID 65243102
2-[1-[(1,1-dioxothian-3-yl)-methylamino]cyclohexyl]acetic acid
CID 65243200
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]cyclohexyl]acetic acid
CID 82888447
2-[3-[cyclopentyl(methyl)amino]azetidin-3-yl]acetic acid
CID 107141497
N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[2-(dimethylamino)ethyl-(1-methylazepan-4-yl)amino]acetic acid
CID 107426097
2-[1-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclopropyl]acetic acid
CID 65498240
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 113490296

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid (CID 65242910) is 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid is CN1CCCC(N(C)C2(CC(=O)O)CCCCC2)CC1.
What is the InChIKey of 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid?
The InChIKey is RFBDESRDRQVIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17-11-6-7-14(8-12-17)18(2)16(13-15(19)20)9-4-3-5-10-16/h14H,3-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid?
2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-(1-methylazepan-4-yl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).