1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid

C16H32N2O2 — CID 107449379

IUPAC1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC(C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-18(6-2)11-10-17-16(15(19)20)9-7-8-14(12-16)13(3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyFLSWTABKEMANMD-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds8

About 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid

1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 107449379) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID107449379
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC(C(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-5-18(6-2)11-10-17-16(15(19)20)9-7-8-14(12-16)13(3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyFLSWTABKEMANMD-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-(2-azidoethylamino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449457
1-[2-(dimethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxamide
CID 107449317
3-[2-(diethylamino)ethylamino]-1,1-dioxothiane-3-carboxylic acid
CID 63910843
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
3-[ethyl(propyl)amino]-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79636297
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401
4-propan-2-yl-1-(propylamino)cycloheptane-1-carboxamide
CID 65088722
3-propan-2-ylsulfanyl-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79634817
1-[2-(diethylamino)ethylamino]-2,5-dimethylcyclohexane-1-carboxylic acid
CID 64754341

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid (CID 107449379) is 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCCC(C(C)C)C1.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is FLSWTABKEMANMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-18(6-2)11-10-17-16(15(19)20)9-7-8-14(12-16)13(3)4/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 107449379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).