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

C16H33N3O2 — CID 79628023

IUPAC3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCCC(CC)N(CCOC)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C16H33N3O2/c1-5-13(6-2)19(10-11-21-4)14-8-7-9-16(12-14,18-3)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyMYOWEJNBCXUJOA-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.51
Rot. Bonds9

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

3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79628023) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79628023
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCCC(CC)N(CCOC)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C16H33N3O2/c1-5-13(6-2)19(10-11-21-4)14-8-7-9-16(12-14,18-3)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20)
InChIKeyMYOWEJNBCXUJOA-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-3-[2-methylpropyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79634123
1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79641424
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
1-(methylamino)-3-[pentyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79642020
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
CID 79636529
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
1-N-(2-methoxyethyl)-2-N,3,3-trimethyl-1-N-pentan-3-ylcyclohexane-1,2-diamine
CID 79829504
3-[2-methoxyethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79641824

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide (CID 79628023) is 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide is CCC(CC)N(CCOC)C1CCCC(NC)(C(N)=O)C1.
What is the InChIKey of 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is MYOWEJNBCXUJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-13(6-2)19(10-11-21-4)14-8-7-9-16(12-14,18-3)15(17)20/h13-14,18H,5-12H2,1-4H3,(H2,17,20).
What are the key properties of 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 299.46 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(pentan-3-yl)amino]-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79628023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).