1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid

C17H32N2O2 — CID 79647444

IUPAC1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C2CCC(CC)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-17(12-15,16(20)21)18-5-2/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyGKTBDJNTZKQVBK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.87
Rot. Bonds6

About 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid

1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid (PubChem CID 79647444) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
PubChem CID79647444
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid
SMILESCCNC1(C(=O)O)CCC(N(C)C2CCC(CC)CC2)C1
InChIInChI=1S/C17H32N2O2/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-17(12-15,16(20)21)18-5-2/h13-15,18H,4-12H2,1-3H3,(H,20,21)
InChIKeyGKTBDJNTZKQVBK-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid (CID 79647444) is 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid is CCNC1(C(=O)O)CCC(N(C)C2CCC(CC)CC2)C1.
What is the InChIKey of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is GKTBDJNTZKQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-4-13-6-8-14(9-7-13)19(3)15-10-11-17(12-15,16(20)21)18-5-2/h13-15,18H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid?
1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 296.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).