N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine

C14H19N3O — CID 70938493

IUPACN-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
SMILESNCC1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11H,5-9,15H2,(H,16,17)
InChIKeyXTSPVRYAFDFGMW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.76
Rot. Bonds3

About N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine

N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine (PubChem CID 70938493) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
PubChem CID70938493
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
SMILESNCC1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C14H19N3O/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11H,5-9,15H2,(H,16,17)
InChIKeyXTSPVRYAFDFGMW-UHFFFAOYSA-N
XLogP2.76
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine (CID 70938493) is N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine is NCC1CCC(Nc2nc3ccccc3o2)CC1.
What is the InChIKey of N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine?
The InChIKey is XTSPVRYAFDFGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14/h1-4,10-11H,5-9,15H2,(H,16,17).
What are the key properties of N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine?
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 70938493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).