N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine

C10H22N2O — CID 63936425

IUPACN'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCN(CCCN)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-2-12(7-3-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3
InChIKeyBGILYSHNTQYVJX-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds5

About N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine

N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine (PubChem CID 63936425) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine
PubChem CID63936425
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine
SMILESCCN(CCCN)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-2-12(7-3-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3
InChIKeyBGILYSHNTQYVJX-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine (CID 63936425) is N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine is CCN(CCCN)C1CCOCC1.
What is the InChIKey of N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine?
The InChIKey is BGILYSHNTQYVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-2-12(7-3-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3.
What are the key properties of N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine?
N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(oxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 63936425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).