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

C12H24N2O — CID 115741760

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1=CCCOC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h6,13H,3-5,7-11H2,1-2H3
InChIKeyDAPZPUDBOOXPFJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.26
Rot. Bonds7

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 115741760) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine
PubChem CID115741760
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCC1=CCCOC1
InChIInChI=1S/C12H24N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h6,13H,3-5,7-11H2,1-2H3
InChIKeyDAPZPUDBOOXPFJ-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.26
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'}

Analyze N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-fluoropropan-1-amine
CID 115742343
methoxy-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 153439808
ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
CID 165409660
[(5,6-dihydro-2H-pyran-3-yl)methyl](methyl)amine
CID 53399302
5-ethoxy-4-methyl-N-propylpent-3-en-1-amine
CID 79597967
4-methyl-5-propoxy-N-propylpent-3-en-1-amine
CID 79598097
5-ethoxy-N-ethyl-4-methylpent-3-en-1-amine
CID 79598595
N-ethyl-4-methyl-5-propoxypent-3-en-1-amine
CID 79598725
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
5-(Propan-2-yloxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716601
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine (CID 115741760) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is DAPZPUDBOOXPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-14(4-2)8-7-13-10-12-6-5-9-15-11-12/h6,13H,3-5,7-11H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 115741760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).