N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C14H28N2O — CID 55030349

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCC=CO1)C(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h6,10,12-15H,5,7-9,11H2,1-4H3
InChIKeyBIELJDBIZAAQMR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.39
Rot. Bonds7

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 55030349) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID55030349
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNCC1CCC=CO1)C(C)C
InChIInChI=1S/C14H28N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h6,10,12-15H,5,7-9,11H2,1-4H3
InChIKeyBIELJDBIZAAQMR-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 55030349) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNCC1CCC=CO1)C(C)C.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is BIELJDBIZAAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)16(13(3)4)9-8-15-11-14-7-5-6-10-17-14/h6,10,12-15H,5,7-9,11H2,1-4H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 55030349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).