N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine

C17H28N2O — CID 107364877

IUPACN'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine
SMILESCCC1CC(N(CCCN)Cc2ccccc2)CCO1
InChIInChI=1S/C17H28N2O/c1-2-17-13-16(9-12-20-17)19(11-6-10-18)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3
InChIKeyGTDZXCNZFZDOHB-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.80
Rot. Bonds7

About N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine

N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine (PubChem CID 107364877) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine
PubChem CID107364877
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine
SMILESCCC1CC(N(CCCN)Cc2ccccc2)CCO1
InChIInChI=1S/C17H28N2O/c1-2-17-13-16(9-12-20-17)19(11-6-10-18)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3
InChIKeyGTDZXCNZFZDOHB-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine (CID 107364877) is N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine is CCC1CC(N(CCCN)Cc2ccccc2)CCO1.
What is the InChIKey of N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine?
The InChIKey is GTDZXCNZFZDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-17-13-16(9-12-20-17)19(11-6-10-18)14-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14,18H2,1H3.
What are the key properties of N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine?
N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine is sourced from PubChem (CID 107364877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).