2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide

C17H35N3O — CID 62008317

IUPAC2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCC1CCC(CN)(N(CC)CC(=O)NCC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-5-15-7-9-17(13-18,10-8-15)20(6-2)12-16(21)19-11-14(3)4/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyIXBXRIPWFVNIMK-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.38
Rot. Bonds8

About 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide (PubChem CID 62008317) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
PubChem CID62008317
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
SMILESCCC1CCC(CN)(N(CC)CC(=O)NCC(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-5-15-7-9-17(13-18,10-8-15)20(6-2)12-16(21)19-11-14(3)4/h14-15H,5-13,18H2,1-4H3,(H,19,21)
InChIKeyIXBXRIPWFVNIMK-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
CID 62009108
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
CID 62008117
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
1-(aminomethyl)-N-ethyl-N-(2-methylpropyl)-4-propylcyclohexan-1-amine
CID 63471543

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide (CID 62008317) is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide is CCC1CCC(CN)(N(CC)CC(=O)NCC(C)C)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is IXBXRIPWFVNIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-15-7-9-17(13-18,10-8-15)20(6-2)12-16(21)19-11-14(3)4/h14-15H,5-13,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide?
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 297.49 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 62008317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).