1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide

C15H31N3O2 — CID 79641424

IUPAC1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCC(CC)N(CCOC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H31N3O2/c1-4-12(5-2)18(9-10-20-3)13-7-6-8-15(17,11-13)14(16)19/h12-13H,4-11,17H2,1-3H3,(H2,16,19)
InChIKeyCZIAOLPFIRVKHR-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.25
Rot. Bonds8

About 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide

1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (PubChem CID 79641424) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
PubChem CID79641424
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
SMILESCCC(CC)N(CCOC)C1CCCC(N)(C(N)=O)C1
InChIInChI=1S/C15H31N3O2/c1-4-12(5-2)18(9-10-20-3)13-7-6-8-15(17,11-13)14(16)19/h12-13H,4-11,17H2,1-3H3,(H2,16,19)
InChIKeyCZIAOLPFIRVKHR-UHFFFAOYSA-N
XLogP1.25
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79628023
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclohexane-1-carboxylic acid
CID 79641945
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
1-amino-3-[propan-2-yl(propyl)amino]cyclohexane-1-carboxylic acid
CID 79636910

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide (CID 79641424) is 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is CCC(CC)N(CCOC)C1CCCC(N)(C(N)=O)C1.
What is the InChIKey of 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
The InChIKey is CZIAOLPFIRVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-12(5-2)18(9-10-20-3)13-7-6-8-15(17,11-13)14(16)19/h12-13H,4-11,17H2,1-3H3,(H2,16,19).
What are the key properties of 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide?
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).