N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine

C14H22N2O — CID 63937836

IUPACN'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H22N2O/c15-8-9-16(14-6-10-17-11-7-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeySLUCGIKNEWBGHJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds5

About N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine

N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 63937836) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
PubChem CID63937836
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H22N2O/c15-8-9-16(14-6-10-17-11-7-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2
InChIKeySLUCGIKNEWBGHJ-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80680161
4-[2-aminoethyl(benzyl)amino]oxolan-3-ol
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CID 70822586
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
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N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine
CID 107364877
N'-benzyl-N'-(1,1-dioxothian-4-yl)propane-1,3-diamine
CID 107365146
1-(2-aminoethyl)-3-benzyl-1-(oxan-4-yl)urea;hydrochloride
CID 146064929
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
N'-benzyl-N'-(2,3-dihydro-1H-inden-1-yl)ethane-1,2-diamine
CID 106511136
N'-benzyl-N'-(2,2-dimethylcyclobutyl)ethane-1,2-diamine
CID 130554815
(3R)-N-benzyl-N-methyloxolan-3-amine
CID 178043856
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine (CID 63937836) is N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine is NCCN(Cc1ccccc1)C1CCOCC1.
What is the InChIKey of N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is SLUCGIKNEWBGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-8-9-16(14-6-10-17-11-7-14)12-13-4-2-1-3-5-13/h1-5,14H,6-12,15H2.
What are the key properties of N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine?
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 63937836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).