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

C14H28N4O2 — CID 62009108

IUPAC2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
SMILESCCC1CCC(CN)(N(CC)CC(=O)NC(N)=O)CC1
InChIInChI=1S/C14H28N4O2/c1-3-11-5-7-14(10-15,8-6-11)18(4-2)9-12(19)17-13(16)20/h11H,3-10,15H2,1-2H3,(H3,16,17,19,20)
InChIKeyRGOSKIDDHPZSIG-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.80
Rot. Bonds6

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

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide (PubChem CID 62009108) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
PubChem CID62009108
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide
SMILESCCC1CCC(CN)(N(CC)CC(=O)NC(N)=O)CC1
InChIInChI=1S/C14H28N4O2/c1-3-11-5-7-14(10-15,8-6-11)18(4-2)9-12(19)17-13(16)20/h11H,3-10,15H2,1-2H3,(H3,16,17,19,20)
InChIKeyRGOSKIDDHPZSIG-UHFFFAOYSA-N
XLogP0.80
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
3-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-2-methylpropanamide
CID 62008117
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-methylacetamide
CID 62006925
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-ethyl-N-methylacetamide
CID 62008114
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 62006571
1-(aminomethyl)-N,4-diethyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 55191563
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide (CID 62009108) is 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide is CCC1CCC(CN)(N(CC)CC(=O)NC(N)=O)CC1.
What is the InChIKey of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide?
The InChIKey is RGOSKIDDHPZSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-11-5-7-14(10-15,8-6-11)18(4-2)9-12(19)17-13(16)20/h11H,3-10,15H2,1-2H3,(H3,16,17,19,20).
What are the key properties of 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide?
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide has a molecular weight of 284.40 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-carbamoylacetamide is sourced from PubChem (CID 62009108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).