1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine

C12H15N3O — CID 115256700

IUPAC1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
SMILESNC1(CNCc2ccc3ncoc3c2)CC1
InChIInChI=1S/C12H15N3O/c13-12(3-4-12)7-14-6-9-1-2-10-11(5-9)16-8-15-10/h1-2,5,8,14H,3-4,6-7,13H2
InChIKeyAGIDEZZLTMTEAC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.41
Rot. Bonds4

About 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine

1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine (PubChem CID 115256700) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
PubChem CID115256700
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
SMILESNC1(CNCc2ccc3ncoc3c2)CC1
InChIInChI=1S/C12H15N3O/c13-12(3-4-12)7-14-6-9-1-2-10-11(5-9)16-8-15-10/h1-2,5,8,14H,3-4,6-7,13H2
InChIKeyAGIDEZZLTMTEAC-UHFFFAOYSA-N
XLogP1.41
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
CID 115245286
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
1-amino-3-(1,3-benzoxazol-6-ylmethylamino)propan-2-ol
CID 115121411
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1,3-benzoxazol-6-yl)ethanamine
CID 115245921
2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
CID 115222967
N-(1,3-benzoxazol-6-ylmethyl)-2-chloroethanamine
CID 115214866
1,3-benzoxazol-6-ylmethanamine
CID 55219292
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
1-N-(1,3-benzoxazol-6-ylmethyl)butane-1,3-diamine
CID 115199329
3-[[2-(1,3-benzoxazol-6-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214300
N-(1,3-benzoxazol-6-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210326

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine (CID 115256700) is 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine is NC1(CNCc2ccc3ncoc3c2)CC1.
What is the InChIKey of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine?
The InChIKey is AGIDEZZLTMTEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12(3-4-12)7-14-6-9-1-2-10-11(5-9)16-8-15-10/h1-2,5,8,14H,3-4,6-7,13H2.
What are the key properties of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine?
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine has a molecular weight of 217.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine is sourced from PubChem (CID 115256700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).