N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine

C12H26N2O — CID 43591813

IUPACN'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-2-8-14(9-5-7-13)11-12-6-3-4-10-15-12/h12H,2-11,13H2,1H3
InChIKeySDXKAGMFKKRHPA-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.62
Rot. Bonds7

About N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine

N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (PubChem CID 43591813) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
PubChem CID43591813
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)CC1CCCCO1
InChIInChI=1S/C12H26N2O/c1-2-8-14(9-5-7-13)11-12-6-3-4-10-15-12/h12H,2-11,13H2,1H3
InChIKeySDXKAGMFKKRHPA-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine (CID 43591813) is N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)CC1CCCCO1.
What is the InChIKey of N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
The InChIKey is SDXKAGMFKKRHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-2-8-14(9-5-7-13)11-12-6-3-4-10-15-12/h12H,2-11,13H2,1H3.
What are the key properties of N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine?
N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 43591813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).