2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide

C17H33N3O — CID 43575620

IUPAC2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H33N3O/c1-17(2,3)13-6-5-12(10-18)15(9-13)20(4)11-16(21)19-14-7-8-14/h12-15H,5-11,18H2,1-4H3,(H,19,21)
InChIKeyJFWZXVGUQZCPEB-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.99
Rot. Bonds5

About 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide

2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide (PubChem CID 43575620) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
PubChem CID43575620
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)C1CC(C(C)(C)C)CCC1CN
InChIInChI=1S/C17H33N3O/c1-17(2,3)13-6-5-12(10-18)15(9-13)20(4)11-16(21)19-14-7-8-14/h12-15H,5-11,18H2,1-4H3,(H,19,21)
InChIKeyJFWZXVGUQZCPEB-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-ethylamino]-N,N-dimethylacetamide
CID 43588518
2-(aminomethyl)-5-tert-butyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293395
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 102639901
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
CID 61453015
2-(aminomethyl)-5-tert-butyl-N-(3,3-dimethylbutan-2-yl)-N-methylcyclohexan-1-amine
CID 63404415
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cyclopropylacetamide
CID 62010381
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-(aminomethyl)-5-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61421823
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
2-[acetyl(tert-butyl)amino]-N-cyclopropylacetamide
CID 113166055
2-[(2-cyano-5-ethylcyclohexyl)-methylamino]-N-cyclopropylacetamide
CID 55002711

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide (CID 43575620) is 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)C1CC(C(C)(C)C)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide?
The InChIKey is JFWZXVGUQZCPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,3)13-6-5-12(10-18)15(9-13)20(4)11-16(21)19-14-7-8-14/h12-15H,5-11,18H2,1-4H3,(H,19,21).
What are the key properties of 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide?
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide has a molecular weight of 295.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 43575620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).