1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine

C15H21N3O — CID 115257069

IUPAC1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
SMILESCc1nc2ccc(CCN(C)CC3(N)CC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-13-4-3-12(9-14(13)19-11)5-8-18(2)10-15(16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyKSWYHDDXVDNFJS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds5

About 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine

1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine (PubChem CID 115257069) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
PubChem CID115257069
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
SMILESCc1nc2ccc(CCN(C)CC3(N)CC3)cc2o1
InChIInChI=1S/C15H21N3O/c1-11-17-13-4-3-12(9-14(13)19-11)5-8-18(2)10-15(16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3
InChIKeyKSWYHDDXVDNFJS-UHFFFAOYSA-N
XLogP2.10
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
1-[[2-(3H-benzimidazol-5-yl)ethyl-methylamino]methyl]cyclopropan-1-amine
CID 115257071
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propanoic acid
CID 117042047
5-(2-methyl-1,3-benzoxazol-6-yl)pentan-1-amine
CID 96671897
1-[[methyl(2-phenylethyl)amino]methyl]cyclopropan-1-amine
CID 65487507
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
N-methyl-N'-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]methanediamine
CID 115227219
5-[2-[(1-aminocyclopropyl)methyl-methylamino]ethyl]-1,3-dihydroindol-2-one
CID 115257043
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine (CID 115257069) is 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine is Cc1nc2ccc(CCN(C)CC3(N)CC3)cc2o1.
What is the InChIKey of 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is KSWYHDDXVDNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-13-4-3-12(9-14(13)19-11)5-8-18(2)10-15(16)6-7-15/h3-4,9H,5-8,10,16H2,1-2H3.
What are the key properties of 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine?
1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 115257069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).