2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide

C11H23N3O — CID 79469564

IUPAC2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)8-14(2)10-6-4-5-9(12)7-10/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLMDAJXQKANTZKV-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds4

About 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide

2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide (PubChem CID 79469564) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
PubChem CID79469564
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)C1CCCC(N)C1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)8-14(2)10-6-4-5-9(12)7-10/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyLMDAJXQKANTZKV-UHFFFAOYSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-aminocyclohexyl)-ethylamino]-N-ethylacetamide
CID 79467932
2-[(3-aminocyclohexyl)-methylamino]acetamide
CID 79467648
2-(3-aminocyclohexyl)-N-[2-(ethylamino)-2-oxoethyl]-N-methylacetamide
CID 62781434
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
2-[(3-aminocyclopentyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 79468067
2-[[2-[cyclopropyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 55628038
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
3-(3-aminocyclohexyl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 80700473
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetic acid
CID 60833171
methyl 2-[cyclopentyl-[2-(ethylamino)-2-oxoethyl]amino]acetate
CID 80710178

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide (CID 79469564) is 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)C1CCCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide?
The InChIKey is LMDAJXQKANTZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-11(15)8-14(2)10-6-4-5-9(12)7-10/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide?
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 79469564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).