1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide

C15H31N3O3 — CID 82940436

IUPAC1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H31N3O3/c1-3-20-10-8-18(9-11-21-4-2)13-6-5-7-15(17,12-13)14(16)19/h13H,3-12,17H2,1-2H3,(H2,16,19)
InChIKeyZPVJGUNFIMXKNK-UHFFFAOYSA-N
MW301.43 g/mol
LogP0.49
Rot. Bonds10

About 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide

1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide (PubChem CID 82940436) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
PubChem CID82940436
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
SMILESCCOCCN(CCOCC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H31N3O3/c1-3-20-10-8-18(9-11-21-4-2)13-6-5-7-15(17,12-13)14(16)19/h13H,3-12,17H2,1-2H3,(H2,16,19)
InChIKeyZPVJGUNFIMXKNK-UHFFFAOYSA-N
XLogP0.49
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-(dibutylamino)cyclopentane-1-carboxamide
CID 79649564
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide (CID 82940436) is 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide is CCOCCN(CCOCC)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is ZPVJGUNFIMXKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3/c1-3-20-10-8-18(9-11-21-4-2)13-6-5-7-15(17,12-13)14(16)19/h13H,3-12,17H2,1-2H3,(H2,16,19).
What are the key properties of 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 0.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 82940436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).