N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C14H22N2O — CID 61014418

IUPACN'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C14H22N2O/c15-8-9-16(12-14-7-4-10-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,15H2
InChIKeyMWWXBWOXAGRWAT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.63
Rot. Bonds6

About N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61014418) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61014418
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C14H22N2O/c15-8-9-16(12-14-7-4-10-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,15H2
InChIKeyMWWXBWOXAGRWAT-UHFFFAOYSA-N
XLogP1.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

N'-[(2-methylphenyl)methyl]-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 112501596
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
N-benzyl-N-(oxolan-2-ylmethyl)-1-piperidin-4-ylmethanamine;hydrochloride
CID 119930857
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
6-[[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]pyridin-2-amine
CID 99800051
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
2-[benzyl(oxolan-2-ylmethyl)amino]-N-(2-fluorophenyl)acetamide
CID 78899950
(2R)-1-[benzyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-phenoxypropan-2-ol
CID 129419580
[5-[[benzyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]-diphenylmethanol
CID 46014037
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61014418) is N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is MWWXBWOXAGRWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-8-9-16(12-14-7-4-10-17-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,15H2.
What are the key properties of N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61014418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).