2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide

C16H33N3O — CID 79115626

IUPAC2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(C1CCC(N)CC1)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C16H33N3O/c1-6-16(4,5)18-15(20)12(3)19(7-2)14-10-8-13(17)9-11-14/h12-14H,6-11,17H2,1-5H3,(H,18,20)
InChIKeySNCCLQLMEKSOPL-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.27
Rot. Bonds6

About 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide

2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 79115626) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID79115626
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCN(C1CCC(N)CC1)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C16H33N3O/c1-6-16(4,5)18-15(20)12(3)19(7-2)14-10-8-13(17)9-11-14/h12-14H,6-11,17H2,1-5H3,(H,18,20)
InChIKeySNCCLQLMEKSOPL-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-aminocyclohexyl)-ethylamino]-N-cyclohexylpropanamide
CID 79114794
2-[2-aminoethyl(cyclopentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 63760066
2-[(4-aminocyclohexyl)-propylamino]-N-cyclopentylpropanamide
CID 79117291
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
N-tert-butyl-2-[ethyl(piperidin-3-yl)amino]propanamide
CID 55244726
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[cyclopropyl(ethyl)amino]-4-methylpentan-3-one
CID 77400027

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide (CID 79115626) is 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide is CCN(C1CCC(N)CC1)C(C)C(=O)NC(C)(C)CC.
What is the InChIKey of 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is SNCCLQLMEKSOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-6-16(4,5)18-15(20)12(3)19(7-2)14-10-8-13(17)9-11-14/h12-14H,6-11,17H2,1-5H3,(H,18,20).
What are the key properties of 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 283.46 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminocyclohexyl)-ethylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 79115626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).