1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine

C14H18N2O — CID 105488356

IUPAC1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine
SMILESCC(C)Cc1onc2ccc(C3(N)CC3)cc12
InChIInChI=1S/C14H18N2O/c1-9(2)7-13-11-8-10(14(15)5-6-14)3-4-12(11)16-17-13/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeySCUQLJYDXOXUPK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.97
Rot. Bonds3

About 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine

1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine (PubChem CID 105488356) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine
PubChem CID105488356
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine
SMILESCC(C)Cc1onc2ccc(C3(N)CC3)cc12
InChIInChI=1S/C14H18N2O/c1-9(2)7-13-11-8-10(14(15)5-6-14)3-4-12(11)16-17-13/h3-4,8-9H,5-7,15H2,1-2H3
InChIKeySCUQLJYDXOXUPK-UHFFFAOYSA-N
XLogP2.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropyl)-2,1-benzoxazol-5-ol
CID 105444867
1-[3-(2-methylpropyl)-2,1-benzoxazol-6-yl]ethanamine
CID 105472813
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-7-yl]cyclopropan-1-amine
CID 83864892
1-[3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclopropan-1-amine
CID 83866657
1-(3-bromo-2-methylindazol-6-yl)cyclopropan-1-amine
CID 84729766
1-(2-ethyl-3-methylindazol-6-yl)cyclopropan-1-amine
CID 84723789
1-(2-ethyl-4-pyridinyl)cyclopropan-1-amine
CID 126992100
1-(1-ethyl-3-methylindazol-5-yl)cyclopropan-1-amine
CID 84723795
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
1-(3-cyclobutyl-2H-indazol-5-yl)cyclopropan-1-amine
CID 105484835
1-[3-ethyl-4-(2-methylpropyl)phenyl]cyclopropan-1-amine;2-methyl-2-prop-1-en-2-yloxypropane
CID 143738725

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine (CID 105488356) is 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine is CC(C)Cc1onc2ccc(C3(N)CC3)cc12.
What is the InChIKey of 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine?
The InChIKey is SCUQLJYDXOXUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)7-13-11-8-10(14(15)5-6-14)3-4-12(11)16-17-13/h3-4,8-9H,5-7,15H2,1-2H3.
What are the key properties of 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine?
1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-2,1-benzoxazol-5-yl]cyclopropan-1-amine is sourced from PubChem (CID 105488356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).