2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide

C14H29N3O2 — CID 79473004

IUPAC2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)COCCN)C1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-17(13-6-3-2-4-7-13)10-5-9-16-14(18)12-19-11-8-15/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyGFBSZSYJDWUFNX-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds9

About 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide

2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide (PubChem CID 79473004) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
PubChem CID79473004
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide
SMILESCN(CCCNC(=O)COCCN)C1CCCCC1
InChIInChI=1S/C14H29N3O2/c1-17(13-6-3-2-4-7-13)10-5-9-16-14(18)12-19-11-8-15/h13H,2-12,15H2,1H3,(H,16,18)
InChIKeyGFBSZSYJDWUFNX-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
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

6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-(2-aminoethyl)-2-[cyclopentyl(methyl)amino]acetamide
CID 61207694
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316373
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119878781
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide (CID 79473004) is 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide is CN(CCCNC(=O)COCCN)C1CCCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
The InChIKey is GFBSZSYJDWUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-17(13-6-3-2-4-7-13)10-5-9-16-14(18)12-19-11-8-15/h13H,2-12,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide?
2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[3-[cyclohexyl(methyl)amino]propyl]acetamide is sourced from PubChem (CID 79473004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).