N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine

C11H18N2O — CID 165444093

IUPACN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine
SMILESCCCNc1noc2c1CCCCC2
InChIInChI=1S/C11H18N2O/c1-2-8-12-11-9-6-4-3-5-7-10(9)14-13-11/h2-8H2,1H3,(H,12,13)
InChIKeyGIKJYGRSKIXFDJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.77
Rot. Bonds3

About N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine

N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine (PubChem CID 165444093) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine.

Molecular Properties

Compound NameN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine
PubChem CID165444093
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine
SMILESCCCNc1noc2c1CCCCC2
InChIInChI=1S/C11H18N2O/c1-2-8-12-11-9-6-4-3-5-7-10(9)14-13-11/h2-8H2,1H3,(H,12,13)
InChIKeyGIKJYGRSKIXFDJ-UHFFFAOYSA-N
XLogP2.77
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine?
The IUPAC name of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine (CID 165444093) is N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine.
What is the SMILES notation for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine?
The canonical SMILES for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine is CCCNc1noc2c1CCCCC2.
What is the InChIKey of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine?
The InChIKey is GIKJYGRSKIXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-8-12-11-9-6-4-3-5-7-10(9)14-13-11/h2-8H2,1H3,(H,12,13).
What are the key properties of N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine?
N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine has a molecular weight of 194.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-amine is sourced from PubChem (CID 165444093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).