N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine

C13H24N2O — CID 115674406

IUPACN'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCC1=CCCOC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-15(13-5-6-13)8-7-14-10-12-4-3-9-16-11-12/h4,13-14H,2-3,5-11H2,1H3
InChIKeyCCGXAJXBOJRRAO-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.41
Rot. Bonds7

About N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine

N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine (PubChem CID 115674406) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine
PubChem CID115674406
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNCC1=CCCOC1)C1CC1
InChIInChI=1S/C13H24N2O/c1-2-15(13-5-6-13)8-7-14-10-12-4-3-9-16-11-12/h4,13-14H,2-3,5-11H2,1H3
InChIKeyCCGXAJXBOJRRAO-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine (CID 115674406) is N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine is CCN(CCNCC1=CCCOC1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine?
The InChIKey is CCGXAJXBOJRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15(13-5-6-13)8-7-14-10-12-4-3-9-16-11-12/h4,13-14H,2-3,5-11H2,1H3.
What are the key properties of N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine?
N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 115674406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).