2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide

C17H35N3O — CID 62006571

IUPAC2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-6-16(4,5)19-15(21)12-20(7-2)17(13-18)10-8-14(3)9-11-17/h14H,6-13,18H2,1-5H3,(H,19,21)
InChIKeyJURAEZIPZAASHP-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds7

About 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 62006571) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID62006571
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCN(CC(=O)NC(C)(C)CC)C1(CN)CCC(C)CC1
InChIInChI=1S/C17H35N3O/c1-6-16(4,5)19-15(21)12-20(7-2)17(13-18)10-8-14(3)9-11-17/h14H,6-13,18H2,1-5H3,(H,19,21)
InChIKeyJURAEZIPZAASHP-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-tert-butylacetamide
CID 62007297
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-cyclopropylacetamide
CID 62007304
2-[2-aminoethyl(cyclopropyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486524
3-[[1-(aminomethyl)-4-methylcyclohexyl]-propylamino]-N-methylpropanamide
CID 62326211
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
1-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 65458490
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-(cyclopropylmethyl)acetamide
CID 62007288
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide (CID 62006571) is 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide is CCN(CC(=O)NC(C)(C)CC)C1(CN)CCC(C)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is JURAEZIPZAASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-6-16(4,5)19-15(21)12-20(7-2)17(13-18)10-8-14(3)9-11-17/h14H,6-13,18H2,1-5H3,(H,19,21).
What are the key properties of 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 62006571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).