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

C11H15N3O — CID 65035675

IUPACN'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1nc2ccccc2o1
InChIInChI=1S/C11H15N3O/c1-8(6-12)7-13-11-14-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyGSVBFJMXCZQXSO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.83
Rot. Bonds4

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

N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine (PubChem CID 65035675) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
PubChem CID65035675
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine
SMILESCC(CN)CNc1nc2ccccc2o1
InChIInChI=1S/C11H15N3O/c1-8(6-12)7-13-11-14-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3,(H,13,14)
InChIKeyGSVBFJMXCZQXSO-UHFFFAOYSA-N
XLogP1.83
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(4-chloro-2-methylbutyl)-1,3-benzoxazol-2-amine
CID 66089941
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
methyl 3-(1,3-benzoxazol-2-ylamino)-2-methylpropanoate
CID 67445136
N'-(1,3-benzoxazol-2-yl)-1-phenylethane-1,2-diamine
CID 63120269
3-(1,3-benzoxazol-2-ylamino)-2-methoxypropanoic acid
CID 106108341
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(5-methylhexyl)-1,3-benzoxazol-2-amine
CID 79003498
2-N-(1,3-benzoxazol-2-yl)-2,4-dimethylpentane-1,2-diamine
CID 113283917
N'-(1,3-benzoxazol-2-yl)pentane-1,5-diamine
CID 107323559
N-(7-methyloctyl)-1,3-benzoxazol-2-amine
CID 107816169
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine (CID 65035675) is N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine is CC(CN)CNc1nc2ccccc2o1.
What is the InChIKey of N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine?
The InChIKey is GSVBFJMXCZQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(6-12)7-13-11-14-9-4-2-3-5-10(9)15-11/h2-5,8H,6-7,12H2,1H3,(H,13,14).
What are the key properties of N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine?
N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine has a molecular weight of 205.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzoxazol-2-yl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 65035675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).