2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide

C15H31N3O — CID 61453015

IUPAC2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C1CC(CC)CCC1CN
InChIInChI=1S/C15H31N3O/c1-4-8-17-15(19)11-18(3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyRUTMZDSBTPTELY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide

2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide (PubChem CID 61453015) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
PubChem CID61453015
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C1CC(CC)CCC1CN
InChIInChI=1S/C15H31N3O/c1-4-8-17-15(19)11-18(3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyRUTMZDSBTPTELY-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-methylpropanamide
CID 106914850
ethyl 3-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]propanoate
CID 63404510
methyl 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-propylamino]acetate
CID 63404331
4-(aminomethyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62808378
2-(aminomethyl)-5-ethyl-N-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61427073
2-(aminomethyl)-N-(cyclopropylmethyl)-5-ethyl-N-propylcyclohexan-1-amine
CID 43478976
2-(aminomethyl)-5-ethyl-N-methyl-N-propan-2-ylcyclohexan-1-amine
CID 43293397
2-[[2-(aminomethyl)-5-methylcyclohexyl]-methylamino]-N,N-dimethylacetamide
CID 43374685
2-(aminomethyl)-N-butyl-N,5-diethylcyclohexan-1-amine
CID 43293551
2-[[2-(aminomethyl)-5-tert-butylcyclohexyl]-methylamino]-N-cyclopropylacetamide
CID 43575620
2-(aminomethyl)-5-ethyl-N-methyl-N-(3-methylbutan-2-yl)cyclohexan-1-amine
CID 43569707
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide (CID 61453015) is 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C1CC(CC)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide?
The InChIKey is RUTMZDSBTPTELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-8-17-15(19)11-18(3)14-9-12(5-2)6-7-13(14)10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide?
2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-ethylcyclohexyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 61453015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).