N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine

C12H17N3O — CID 61034495

IUPACN'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1nc2ccccc2o1
InChIInChI=1S/C12H17N3O/c1-2-15(9-5-8-13)12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7H,2,5,8-9,13H2,1H3
InChIKeyFQJMTWXHTHKQER-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.00
Rot. Bonds5

About N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine

N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine (PubChem CID 61034495) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
PubChem CID61034495
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine
SMILESCCN(CCCN)c1nc2ccccc2o1
InChIInChI=1S/C12H17N3O/c1-2-15(9-5-8-13)12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7H,2,5,8-9,13H2,1H3
InChIKeyFQJMTWXHTHKQER-UHFFFAOYSA-N
XLogP2.00
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-ethyl-1,3-benzoxazol-2-amine
CID 80672616
methyl 3-[1,3-benzoxazol-2-yl(ethyl)amino]propanoate
CID 62007408
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
N'-(1,3-benzoxazol-2-yl)-N'-[(4-pyridin-2-yloxyphenyl)methyl]propane-1,3-diamine;hydrochloride
CID 44622045
N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788666
3-[4-[1,3-benzoxazol-2-yl(ethyl)amino]butoxy]benzoic acid
CID 58678534
4-[[1,3-benzoxazol-2-yl(butyl)amino]methyl]benzonitrile
CID 59164586
3-[1,3-benzoxazol-2-yl(ethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987730
N'-(1,3-benzoxazol-2-yl)-N'-(3-fluorophenyl)propane-1,3-diamine
CID 61033078
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
N-ethyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 79719885
N'-(2-aminoethyl)-N'-(6-decyl-1,3-benzoxazol-2-yl)ethane-1,2-diamine
CID 169298705

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine (CID 61034495) is N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine is CCN(CCCN)c1nc2ccccc2o1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine?
The InChIKey is FQJMTWXHTHKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-15(9-5-8-13)12-14-10-6-3-4-7-11(10)16-12/h3-4,6-7H,2,5,8-9,13H2,1H3.
What are the key properties of N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine?
N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine has a molecular weight of 219.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)-N'-ethylpropane-1,3-diamine is sourced from PubChem (CID 61034495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).