N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide

C12H20N2O2 — CID 115741773

IUPACN-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1=CCCOC1)C1CC1
InChIInChI=1S/C12H20N2O2/c15-12(11-3-4-11)14-6-5-13-8-10-2-1-7-16-9-10/h2,11,13H,1,3-9H2,(H,14,15)
InChIKeyNBDHNSZNFQWOGX-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds6

About N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide

N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115741773) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide
PubChem CID115741773
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNCC1=CCCOC1)C1CC1
InChIInChI=1S/C12H20N2O2/c15-12(11-3-4-11)14-6-5-13-8-10-2-1-7-16-9-10/h2,11,13H,1,3-9H2,(H,14,15)
InChIKeyNBDHNSZNFQWOGX-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 115741775
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
CID 115741784
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
CID 115741887
4-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,N-dimethylbutanamide
CID 115741926
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,3-dimethylbutanamide
CID 115747424
N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
CID 115968380
N-cyclopropyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
CID 127614588
4-(cyclopropanecarbonyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-diazepane-1-carboxamide
CID 128416692
2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylpropanamide
CID 130820280
(2S)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
CID 130892874
(2R)-2-amino-N-(3,6-dihydro-2H-pyran-5-ylmethyl)propanamide
CID 130921539

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide (CID 115741773) is N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNCC1=CCCOC1)C1CC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is NBDHNSZNFQWOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(11-3-4-11)14-6-5-13-8-10-2-1-7-16-9-10/h2,11,13H,1,3-9H2,(H,14,15).
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide?
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115741773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).