4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine

C15H30N2O — CID 62064537

IUPAC4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCC1CCC=CO1
InChIInChI=1S/C15H30N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h7,12,14-16H,4-6,8-11,13H2,1-3H3
InChIKeyLBDDRFAEGBYBJJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.78
Rot. Bonds9

About 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 62064537) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID62064537
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCC1CCC=CO1
InChIInChI=1S/C15H30N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h7,12,14-16H,4-6,8-11,13H2,1-3H3
InChIKeyLBDDRFAEGBYBJJ-UHFFFAOYSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine (CID 62064537) is 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NCC1CCC=CO1.
What is the InChIKey of 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is LBDDRFAEGBYBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-17(5-2)11-8-9-14(3)16-13-15-10-6-7-12-18-15/h7,12,14-16H,4-6,8-11,13H2,1-3H3.
What are the key properties of 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 62064537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).