2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide

C12H25N3O — CID 79122902

IUPAC2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
SMILESCCNC1CCC(N(C)C(C)C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-4-14-10-5-7-11(8-6-10)15(3)9(2)12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeyLNONSPWGNOQFSR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds5

About 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide

2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide (PubChem CID 79122902) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide.

Molecular Properties

Compound Name2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
PubChem CID79122902
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide
SMILESCCNC1CCC(N(C)C(C)C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-4-14-10-5-7-11(8-6-10)15(3)9(2)12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16)
InChIKeyLNONSPWGNOQFSR-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(ethylamino)cyclohexyl]-1-methylurea
CID 79122178
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099
N-[4-(ethylamino)cyclohexyl]-N-methylcyclopropanecarboxamide
CID 79122712
[4-(ethylamino)cyclohexyl]urea
CID 43653665
2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
N-[4-(ethylamino)cyclohexyl]-N,3,4,4-tetramethylpentanamide
CID 79122094
2-[[4-(ethylamino)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 79123116
2-ethyl-N-[4-(ethylamino)cyclohexyl]butanamide
CID 43653291
1-N-ethyl-3-N-methyl-3-N-(3-methylbutan-2-yl)cyclopentane-1,3-diamine
CID 79643301
1-[4-(ethylamino)cyclohexyl]-1-methyl-3-propylurea
CID 79123170
N-cyclopentyl-2-[[4-(ethylamino)cyclohexyl]-methylamino]acetamide
CID 79122123
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide?
The IUPAC name of 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide (CID 79122902) is 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide.
What is the SMILES notation for 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide?
The canonical SMILES for 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide is CCNC1CCC(N(C)C(C)C(N)=O)CC1.
What is the InChIKey of 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide?
The InChIKey is LNONSPWGNOQFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-14-10-5-7-11(8-6-10)15(3)9(2)12(13)16/h9-11,14H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide?
2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)cyclohexyl]-methylamino]propanamide is sourced from PubChem (CID 79122902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).