1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine

C12H26N2O — CID 116905634

IUPAC1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
SMILESCC(N)CCC(C1CCOCC1)N(C)C
InChIInChI=1S/C12H26N2O/c1-10(13)4-5-12(14(2)3)11-6-8-15-9-7-11/h10-12H,4-9,13H2,1-3H3
InChIKeyPVSHFOCCDSMYTJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds5

About 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine

1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine (PubChem CID 116905634) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
PubChem CID116905634
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine
SMILESCC(N)CCC(C1CCOCC1)N(C)C
InChIInChI=1S/C12H26N2O/c1-10(13)4-5-12(14(2)3)11-6-8-15-9-7-11/h10-12H,4-9,13H2,1-3H3
InChIKeyPVSHFOCCDSMYTJ-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine (CID 116905634) is 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine is CC(N)CCC(C1CCOCC1)N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine?
The InChIKey is PVSHFOCCDSMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(13)4-5-12(14(2)3)11-6-8-15-9-7-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine?
1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-1-(oxan-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 116905634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).