2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid

C15H29NO2 — CID 65087597

IUPAC2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
SMILESCCC1CCCC(CC(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C15H29NO2/c1-4-13-8-7-10-15(11-9-13,12-14(17)18)16(5-2)6-3/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyWVZALYUBHPSJOQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.53
Rot. Bonds6

About 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid

2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid (PubChem CID 65087597) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
PubChem CID65087597
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid
SMILESCCC1CCCC(CC(=O)O)(N(CC)CC)CC1
InChIInChI=1S/C15H29NO2/c1-4-13-8-7-10-15(11-9-13,12-14(17)18)16(5-2)6-3/h13H,4-12H2,1-3H3,(H,17,18)
InChIKeyWVZALYUBHPSJOQ-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[1-(diethylamino)-4-ethylcycloheptyl]acetate
CID 65087751
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
2-[1-[(4-ethylcycloheptyl)-methylamino]cyclohexyl]acetic acid
CID 65243102
2-[1-(diethylamino)-3,4-dimethylcyclohexyl]acetic acid
CID 64745297
1-(diethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43803655
2-[1-[1-cyclobutylpropan-2-yl(methyl)amino]cyclohexyl]acetic acid
CID 113490296
cis-(1R,4R)-1-amino-4-ethylcycloheptane-1-carboxylic acid
CID 124509233
2-(3-ethyl-1-piperidin-1-ylcyclohexyl)acetic acid
CID 64526836
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[4-tert-butyl-1-(dimethylamino)cycloheptyl]acetic acid
CID 65094580
1-(diethylamino)-4-ethylcycloheptane-1-carbonitrile
CID 65085850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid?
The IUPAC name of 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid (CID 65087597) is 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid is CCC1CCCC(CC(=O)O)(N(CC)CC)CC1.
What is the InChIKey of 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid?
The InChIKey is WVZALYUBHPSJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-13-8-7-10-15(11-9-13,12-14(17)18)16(5-2)6-3/h13H,4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid?
2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid has a molecular weight of 255.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)-4-ethylcycloheptyl]acetic acid is sourced from PubChem (CID 65087597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).