N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

C13H19N3O — CID 115206397

IUPACN'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc2ncoc2c1
InChIInChI=1S/C13H19N3O/c1-10(2)14-6-7-16(3)11-4-5-12-13(8-11)17-9-15-12/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyDZDXVUJHFPQVCV-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.26
Rot. Bonds5

About N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 115206397) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID115206397
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc2ncoc2c1
InChIInChI=1S/C13H19N3O/c1-10(2)14-6-7-16(3)11-4-5-12-13(8-11)17-9-15-12/h4-5,8-10,14H,6-7H2,1-3H3
InChIKeyDZDXVUJHFPQVCV-UHFFFAOYSA-N
XLogP2.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)urea
CID 2824070
N-methyl-N'-(2-methyl-1,3-benzoxazol-6-yl)thiourea
CID 1472997
N-(1,3-benzoxazol-6-yl)-N'-phenylurea
CID 3845234
N-6-Benzoxazolyl-N'-ethylthiourea
CID 3845244
2,2,2-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 1473012
CID 137547626
CID 137547626
1,3-Benzoxazol-6-amine
CID 584120
2-Methyl-1,3-benzoxazol-6-amine
CID 590539
1,3-Benzoxazol-4-amine
CID 1482202
5-Methoxy-1,3-benzoxazole
CID 12859508
3-[[(4-Aminobenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one
CID 454417
US20230295140, Example 17
CID 156778574

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 115206397) is N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is CC(C)NCCN(C)c1ccc2ncoc2c1.
What is the InChIKey of N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is DZDXVUJHFPQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10(2)14-6-7-16(3)11-4-5-12-13(8-11)17-9-15-12/h4-5,8-10,14H,6-7H2,1-3H3.
What are the key properties of N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-(1,3-benzoxazol-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 233.31 g/mol, XLogP of 2.26, 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-6-yl)-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).