2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide

C13H27N3O2 — CID 102639859

IUPAC2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CCCCC1N
InChIInChI=1S/C13H27N3O2/c1-10(13(17)15-8-9-18-3)16(2)12-7-5-4-6-11(12)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFEEXVNSYCJQGFS-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.34
Rot. Bonds6

About 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide

2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 102639859) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID102639859
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(C)C1CCCCC1N
InChIInChI=1S/C13H27N3O2/c1-10(13(17)15-8-9-18-3)16(2)12-7-5-4-6-11(12)14/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyFEEXVNSYCJQGFS-UHFFFAOYSA-N
XLogP0.34
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminocycloheptyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 54989285
N-(2-methoxyethyl)-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122216
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 61230707
N-butyl-2-[(2-hydroxycyclohexyl)-methylamino]propanamide
CID 102636333
2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 113407184
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
2-[2-hydroxypropyl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 62334710
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
N-(3-methoxypropyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301691
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide (CID 102639859) is 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(C)C1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is FEEXVNSYCJQGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(13(17)15-8-9-18-3)16(2)12-7-5-4-6-11(12)14/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide?
2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 102639859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).