2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid

C16H23NO2 — CID 83693626

IUPAC2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
SMILESCC1CCC(CC(=O)O)(NCc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-13-7-9-16(10-8-13,11-15(18)19)17-12-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3,(H,18,19)
InChIKeyDHNURZUGPOLHCH-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.20
Rot. Bonds5

About 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid

2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid (PubChem CID 83693626) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
PubChem CID83693626
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid
SMILESCC1CCC(CC(=O)O)(NCc2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-13-7-9-16(10-8-13,11-15(18)19)17-12-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3,(H,18,19)
InChIKeyDHNURZUGPOLHCH-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(benzylamino)-3-methylcyclopentyl]methanol
CID 64515748
2-[4-(benzylamino)thian-4-yl]acetic acid
CID 83693744
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
1-[1-(aminomethyl)-4-methylcyclohexyl]-3-benzylurea
CID 107653310
2-[1-(benzylamino)cyclobutyl]acetamide
CID 131134694
1-(benzylamino)-4-methylcycloheptane-1-carboxamide
CID 65084787
[1-[(4-cyclopropylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79984227
[4-methyl-1-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 62526385
2-[(1R,3R)-1-benzyl-3-methylcyclopentyl]acetic acid
CID 58626987
[1-(benzylamino)-3-ethylcyclopentyl]methanol
CID 64515749
N-benzyl-1-ethylcyclopropan-1-amine
CID 130847049
2-[3-(benzylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 103082296

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid?
The IUPAC name of 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid (CID 83693626) is 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid is CC1CCC(CC(=O)O)(NCc2ccccc2)CC1.
What is the InChIKey of 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid?
The InChIKey is DHNURZUGPOLHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-7-9-16(10-8-13,11-15(18)19)17-12-14-5-3-2-4-6-14/h2-6,13,17H,7-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid?
2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid has a molecular weight of 261.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzylamino)-4-methylcyclohexyl]acetic acid is sourced from PubChem (CID 83693626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).