2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide

C13H25N3O2 — CID 63100245

IUPAC2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CCNCC(=O)NC1CCOCC1)C1CC1
InChIInChI=1S/C13H25N3O2/c1-16(12-2-3-12)7-6-14-10-13(17)15-11-4-8-18-9-5-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJKVTXDATORXHLG-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide

2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide (PubChem CID 63100245) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
PubChem CID63100245
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide
SMILESCN(CCNCC(=O)NC1CCOCC1)C1CC1
InChIInChI=1S/C13H25N3O2/c1-16(12-2-3-12)7-6-14-10-13(17)15-11-4-8-18-9-5-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyJKVTXDATORXHLG-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
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-(dimethylcarbamoylamino)ethylamino]-N-(oxan-4-yl)acetamide
CID 83120793
2-[3-[cyclohexyl(methyl)amino]propylamino]-N-cyclopentylacetamide
CID 60980547
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
2-[2-(4-fluorophenyl)ethylamino]-N-(oxan-4-yl)acetamide
CID 63099712
2-[(3-hydroxy-4-methoxybutyl)amino]-N-(oxan-4-yl)acetamide
CID 106246683
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide
CID 59205286
N'-cyclopropyl-N'-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 62977611
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide (CID 63100245) is 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide is CN(CCNCC(=O)NC1CCOCC1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide?
The InChIKey is JKVTXDATORXHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16(12-2-3-12)7-6-14-10-13(17)15-11-4-8-18-9-5-11/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide?
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63100245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).