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

C14H28N2O3 — CID 106873019

IUPAC1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC(OC)C1
InChIInChI=1S/C14H28N2O3/c1-4-16(5-2)10-9-15-14(13(17)18)8-6-7-12(11-14)19-3/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyLZOWRLFQCFVHOR-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds8

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

1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid (PubChem CID 106873019) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
PubChem CID106873019
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCCC(OC)C1
InChIInChI=1S/C14H28N2O3/c1-4-16(5-2)10-9-15-14(13(17)18)8-6-7-12(11-14)19-3/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyLZOWRLFQCFVHOR-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449379
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
1-(cyclopropylmethylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873087
1-(3-azidopropylamino)-3-methoxycyclohexane-1-carboxylic acid
CID 106873196
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
3-cyclobutyloxy-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637267
3-[2-(diethylamino)ethylamino]-1,1-dioxothiane-3-carboxylic acid
CID 63910843
3-pentoxy-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79637343
1-(ethylamino)-3-[(2-methylpropan-2-yl)oxy]cyclohexane-1-carboxylic acid
CID 79637616
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-methoxycyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid (CID 106873019) is 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCCC(OC)C1.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid?
The InChIKey is LZOWRLFQCFVHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-16(5-2)10-9-15-14(13(17)18)8-6-7-12(11-14)19-3/h12,15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 106873019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).